SCHEMBL5221398

SCHEMBL5221398

Cc1ccc(S(=O)(=O)O)cc1.N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

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 0.52
MAPT P10636 1/20 0.49
SLC15A1 P46059 1/20 0.45
TACR1 P25103 3/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
LAP3 P28838 1/20 0.43

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
SCHEMBL2590490 1.00 LMNA (0.52) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL718199 1.00 LMNA (0.52) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL5115273 0.95 MAPT (0.48) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL12615481 0.95 MAPT (0.48) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL716533 0.95 MAPT (0.48) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL8813869 0.93 P2RX7 (0.47) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL6895557 0.93 ALDH1A1 (0.50) LMNAMAPTSLC15A1GAACA1
SCHEMBL8813866 0.93 P2RX7 (0.47) LMNAMAPTSLC15A1TACR1GAA
SCHEMBL7302285 0.92 LTA4H (0.56) LMNAMAPTCA1CA2LTA4H
SCHEMBL27403149 0.92 MMP1 (0.46) LMNAMAPTCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-112409435-B Bile acid derivatives, compositions and uses thereof 深圳云合医药科技合伙企业(有限合伙) 2023-07-18 CN disclosed
US-20220273675-A1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF SHENZHEN YUNHE PHARMACEUTICAL TECHNOLOGY PARTNERSHIP (LIMITED) (CN) 2022-09-01 US disclosed
EP-4019528-A1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF Shenzhen Yunhe Pharmaceutical Technology Partnership (Limited) (CN) 2022-06-29 EP disclosed
WO-2021036998-A1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF 深圳云合医药科技合伙企业(有限合伙) 2021-03-04 WO disclosed
CN-112409435-A Bile acid derivatives, compositions and uses thereof 深圳云合医药科技合伙企业(有限合伙) 2021-02-26 CN disclosed
CN-101652365-A 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB SE 2010-02-17 CN disclosed
EP-0950656-B1 SULFONATED AMINO ACID DERIVATIVES AND METALLOPROTEINASE INHIBITORS CONTAINING THE SAME SHIONOGI & CO (JP) 2007-04-11 EP disclosed
US-5597804-A ANTITHROMBOTIC AGENTS CORVAS INTERNATIONAL, INC. (US) 1997-01-28 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5371072-A ANTICOAGULANTS CORVAS INTERNATIONAL, INC. (US) 1994-12-06 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed
US-5242903-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-09-07 US disclosed
US-5095006-A Enzyme inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0412350-A2 Renininhibitors, procedure for their preparation and use as medicaments BAYER AG (DE) 1991-02-13 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 (2 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-20220273675-A1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF NR1H4, GPBAR1, GLP1R LMNA 4572/4885MAPT 4033/4885SLC15A1 806/4885
US-12491190-B2 Bile acid derivative, composition and application thereof NR1H4, GPBAR1, GLP1R LMNA 4572/4885MAPT 4033/4885SLC15A1 806/4885

“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.