Fumaric Acid

Fumaric Acid

SCHEMBL2670558

CC(C)OC(=O)OCC(OC(=O)OC(C)C)O[P@](=O)(O)COC(C)Cn1cnc2c(N)ncnc21.O=C(O)C=CC(=O)O

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAP Q12884 2/20 0.71
CYP3A4 P08684 15/20 0.57
CYP2D6 P10635 14/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL969657 0.95 FAP (0.69) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL4212549 0.90 FAP (0.72) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL28393645 0.87 FAP (0.70) FAPCYP3A4CYP2D6
Fumaric Acid SCHEMBL29389347 0.87 FAP (0.70) FAPCYP3A4CYP2D6
SCHEMBL3672191 0.85 FAP (0.70) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL18190782 0.83 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL3234290 0.83 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL40021 0.83 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL985120 0.83 FAP (1.00) FAPCYP3A4CYP2D6
Tenofovir Disoproxil SCHEMBL16237284 0.83 FAP (1.00) FAPCYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2025-03-20 US disclosed
US-20250019418-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES OHIO STATE INNOVATION FOUNDATION 2025-01-16 US disclosed
EP-3281939-B1 COMBINATION COMPRISING A STABLE CRYSTAL OF A 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC (JP) 2023-10-18 EP disclosed
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2023-06-22 US disclosed
EP-4059923-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2022-09-21 EP disclosed
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-07-14 US disclosed
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT JAPAN TOBACCO INC. (JP) 2020-04-02 US disclosed
US-20190185433-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2019-06-20 US disclosed
EP-3406596-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR Japan Tobacco Inc. (JP) 2018-11-28 EP disclosed
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2018-11-08 US disclosed
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-09-28 US disclosed
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-04-20 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 US disclosed
US-20060030710-A1 Stable crystal of 4-oxoquinoline compound SHIONOGI & CO., LTD. (JP) 2006-02-09 US disclosed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 US disclosed
US-20050288326-A1 Combination therapy SHIONOGI & CO., LTD. (JP) 2005-12-29 US disclosed
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors SHIONOGI & CO., LTD. (JP) 2005-10-27 US disclosed
EP-1564210-A1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC. (JP) 2005-08-17 EP disclosed
EP-1544199-A1 NITROGENOUS CONDENSED-RING COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2005-06-22 EP disclosed
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054645-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT FAP 1958/4885CYP3A4 249/4885CYP2D6 820/4885
US-20180319798-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyrazine Derivative and Use of the Same as HIV Integrase Inhibitor IMPA1, IMPDH1, TYMP FAP 2032/4885CYP3A4 181/4885CYP2D6 187/4885
US-20250019418-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES MB, HMBS, HCCS FAP 1691/4885CYP3A4 143/4885CYP2D6 170/4885
US-20050288326-A1 Combination therapy TYMP, TPMT, PNP FAP 628/4885CYP3A4 187/4885CYP2D6 94/4885
US-20060084665-A1 Quinolizinone compound and use thereof as HIV integrase inhibitor NQO2, ACE, CDK20 FAP 2914/4885CYP3A4 170/4885CYP2D6 225/4885
US-20190185433-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND KCNQ2, RCC1, SFPQ FAP 4675/4885CYP3A4 117/4885CYP2D6 326/4885
US-20250091995-A1 STABLE CRYSTAL OF 4-OXOQUINOLINE COMPOUND KCNQ2, KCNQ1, KCNQ5 FAP 4577/4885CYP3A4 31/4885CYP2D6 47/4885
US-20200101061-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, CDKL4, IMPDH2 FAP 4397/4885CYP3A4 12/4885CYP2D6 345/4885
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, PIP4K2B, IMPDH2 FAP 4811/4885CYP3A4 64/4885CYP2D6 687/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT FAP 1958/4885CYP3A4 249/4885CYP2D6 820/4885
US-20230190730-A1 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT IMPDH1, IMPDH2, DNTT FAP 4359/4885CYP3A4 17/4885CYP2D6 329/4885
US-20060217413-A1 4-Oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, CDKL4, IMPDH2 FAP 4258/4885CYP3A4 39/4885CYP2D6 688/4885
US-20050239819-A1 4-Oxoquinoline compounds and utilization thereof as hiv integrase inhibitors IMPDH1, IMPDH2, TYMP FAP 4070/4885CYP3A4 39/4885CYP2D6 569/4885
US-20060030710-A1 Stable crystal of 4-oxoquinoline compound KCNQ2, RCC1, SFPQ FAP 4675/4885CYP3A4 117/4885CYP2D6 326/4885
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF HBG1, HBG2, LPO FAP 218/4885CYP3A4 733/4885CYP2D6 1324/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.