SCHEMBL719791

SCHEMBL719791

C[C@@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.51
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CA1 P00915 6/20 0.46
CA2 P00918 6/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
ALDH1A1 P00352 3/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL716770 1.00 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL1670578 1.00 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL31491210 0.92 ALDH1A1 (0.47) LMNACYP2D6MAPK1CA1CA2
SCHEMBL6447396 0.90 LMNA (0.52) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL3071 0.90 LMNA (0.52) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL719256 0.90 LMNA (0.52) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL7758366 0.89 LMNA (0.51) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL715653 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL7354344 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1CA1
SCHEMBL717091 0.88 LMNA (0.50) LMNAMAPTCYP2D6MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2300197-A None JP disclosed
EP-4019528-B1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF SHENZHEN YUNHE PHARMACEUTICAL TECH PARTNERSHIP LIMITED (CN) 2026-01-28 EP disclosed
US-12491190-B2 Bile acid derivative, composition and application thereof SHENZHEN YUNHE PHARMACEUTICAL TECHNOLOGY PARTNERSHIP (LIMITED) (CN) 2025-12-09 US disclosed
US-20250215030-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. 2025-07-03 US disclosed
CN-118638140-A Oxo-substituted compounds 住友制药株式会社 2024-09-13 CN disclosed
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 CN disclosed
CN-116925168-A Bile acid derivatives, compositions and uses thereof 深圳云合医药科技合伙企业(有限合伙) 2023-10-24 CN disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
EP-0388982-A1 Pradimicin amide derivatives Bristol-Myers Squibb Company (US) 1990-09-26 EP disclosed
EP-0227306-B1 PEPTIDE IMMUNOSTIMULANTS PFIZER INC. (US) 1989-09-13 EP disclosed
US-4767743-A ANTIINFECTION AGENTS PFIZER INC. (US) 1988-08-30 US disclosed
EP-0103077-B1 SUBSTITUTED DIPEPTIDES, METHODS FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHOD FOR MAKING SUCH PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 1988-05-18 EP disclosed
WO-1988001613-A1 CRYSTALLINE N-(S-3-METHYLHEPTANOYL)-D-GAMMA-GLUTAMYL-GLYCYL-D-ALANINE, AND PROCESSES AND INTERMEDIATES THEREFOR PFIZER INC. (US) 1988-03-10 WO disclosed
WO-1988001612-A1 PROCESSES AND INTERMEDIATES FOR N-(S-3-ALKYL-HEPTANOYL)-D-GAMMA-GLUTAMYL-GLYCYL-D-ALANINE PFIZER INC. (US) 1988-03-10 WO disclosed
US-4590178-A DIURETICS AJINOMOTO COMPANY, INCORPORATED (JP) 1986-05-20 US disclosed
US-4536395-A DIPEPTIDES AJINOMOTO CO., INC. (JP) 1985-08-20 US disclosed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 US disclosed
EP-0085488-A2 Amino acid derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1983-08-10 EP 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 (4 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 LMNA 1484/4885MAPT 4495/4885CYP2D6 241/4885
US-20250215030-A1 STAT MODULATORS AND USES THEREOF STAT6, STAT3, STAT5A LMNA 4744/4885MAPT 2134/4885CYP2D6 2744/4885
US-12491190-B2 Bile acid derivative, composition and application thereof NR1H4, GPBAR1, GLP1R LMNA 4572/4885MAPT 4033/4885CYP2D6 638/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 LMNA 1484/4885MAPT 4495/4885CYP2D6 241/4885

“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.