Sugi Predict

Sugi Predict / Compounds / SCHEMBL2623478

SCHEMBL2623478

SCHEMBL2623478

COC(=O)C[C@H](C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ GABRR1 P24046 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ NAALAD2 Q9Y3Q0 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MGAM O43451 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SI P14410 1/20 0.40
▸ MGAM2 Q2M2H8 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ SLC1A1 P43005 1/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ STING1 Q86WV6 1/20 0.37

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
SCHEMBL1183661 1.00 TSHR (0.43) TSHRGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL1966537 1.00 TSHR (0.43) TSHRGABRR1CYP1A2FOLH1NAALAD2
Hydrochloric Acid SCHEMBL8749340 0.98 TSHR (0.42) TSHRGABRR1CYP1A2FOLH1NAALAD2
Dimethyl Succinate SCHEMBL28142389 0.82 TSHR (0.54) TSHRCYP1A2NAALAD2HSD17B10SLC1A1
SCHEMBL186433 0.80 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL1878449 0.80 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL774101 0.80 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL17226123 0.80 MGAM (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL4429511 0.80 GABRR1 (0.41) GABRR1CYP1A2FOLH1NAALAD2MMP1
SCHEMBL6281449 0.79 TSHR (0.48) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462374-A Preparation method of levosimendan 山东京卫制药有限公司 2025-02-18 — — CN claimed
CN-119684317-A Macrocyclic compound and application thereof 郑州德迈药业有限公司 2025-03-25 — — CN disclosed
CN-119462374-A Preparation method of levosimendan 山东京卫制药有限公司 2025-02-18 — — CN disclosed
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 — — US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 — — US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 — — US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 — — US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 — — US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 — — US disclosed
EP-0045161-B1 AMIDES OF 4-OXO-5-AMIDOHEXANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-14 — — EP disclosed
EP-0049589-A1 Carboxyalkanoyl and hydroxycarbamoylalkanoyl derivatives of substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-04-14 — — EP disclosed
US-4321383-A Heterobicyclo intermediates E. R. SQUIBB & SONS, INC. (US) 1982-03-23 — — US disclosed
EP-0045161-A1 Amides of 4-oxo-5-amidohexanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-03 — — EP disclosed
US-4311705-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 — — US disclosed
US-4303662-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-12-01 — — 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 (8 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL TSHR 4676/4885GABRR1 1617/4885CYP1A2 2057/4885
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP TSHR 169/4885GABRR1 631/4885CYP1A2 4586/4885
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE TSHR 4650/4885GABRR1 3574/4885CYP1A2 2137/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 TSHR 4679/4885GABRR1 1840/4885CYP1A2 3966/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS TSHR 4635/4885GABRR1 1561/4885CYP1A2 2139/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TSHR 4547/4885GABRR1 2756/4885CYP1A2 2984/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS TSHR 4635/4885GABRR1 1561/4885CYP1A2 2139/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TSHR 4444/4885GABRR1 2810/4885CYP1A2 3022/4885

“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.