SCHEMBL1455487

SCHEMBL1455487

CNCC(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.60

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 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.50
ALDH1A1 P00352 5/20 0.48
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 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
SCHEMBL2536 0.88 LMNA (0.57) LMNAMAPTALDH1A1CA1CA2
SCHEMBL8508557 0.85 ALDH1A1 (0.64) LMNAMAPTALDH1A1CA1CA2
SCHEMBL4447797 0.84 LMNA (0.54) LMNAMAPTALDH1A1CA1CA2
SCHEMBL3654908 0.84 LMNA (0.54) LMNAMAPTALDH1A1CA1CA2
SCHEMBL57630 0.84 LMNA (0.62) LMNAMAPTALDH1A1CA1CA2
SCHEMBL11660143 0.83 LMNA (0.53) LMNAMAPTALDH1A1CA1CA2
SCHEMBL11624179 0.83 LMNA (0.53) LMNAMAPTALDH1A1CA1CA2
SCHEMBL1687346 0.83 ALDH1A1 (0.61) LMNAMAPTALDH1A1KMT2ACYP1A2
SCHEMBL18281078 0.83 LMNA (0.68) LMNAMAPTALDH1A1CA1CA2
SCHEMBL717926 0.83 LMNA (0.68) LMNAMAPTALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-11-30 US disclosed
EP-3130608-B1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-09-04 EP disclosed
EP-3130608-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 EP disclosed
US-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-02-09 US disclosed
CN-103298778-B Glycine derivatives having melanogenesis inhibitory activity and whitening compositions containing the same CORUM INC 2015-03-25 CN disclosed
CN-104257515-A Glycine derivatives having melanogenesis inhibitory activity and whitening compositions containing the same CORUM INC 2015-01-07 CN disclosed
EP-1757609-B1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
CN-103298778-A Glycine derivatives having melanogenesis inhibitory activity and whitening compositions containing the same CORUM INC 2013-09-11 CN disclosed
WO-2012051741-A1 GLYCIN DERIVATIVES INHIBITING MELANIN PRODUCTION AND WHITENING COMPOSITION THEREOF 新钰生技股份有限公司 (CN) 2012-04-26 WO disclosed
US-8022047-B2 Combination anticancer agents CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
EP-1938823-A1 AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-07-02 EP disclosed
EP-1925309-A1 NOVEL ANTICANCER CONCOMITANT DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-28 EP disclosed
US-20080015157-A1 Novel Water-Soluble Prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
WO-2007146085-A2 CREATINE PHOSPHATE PRODRUGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2007-12-21 WO disclosed
EP-1757609-A1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-02-28 EP disclosed
WO-2001027141-A1 INHIBITORS OF FACTOR XA HAVING AN ARGININE OR ARGININE ALDEHYDE MIMIC CORVAS INTERNATIONAL, INC. (US) 2001-04-19 WO disclosed
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US disclosed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US disclosed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP disclosed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO 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 (3 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-20170035906-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE ERBB2, EGFR, LANCL2 LMNA 139/4885MAPT 836/4885ALDH1A1 2238/4885
US-20080015157-A1 Novel Water-Soluble Prodrugs ADH1A, ADH1C, SLC43A1 LMNA 4344/4885MAPT 3789/4885ALDH1A1 142/4885
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate ERBB2, EGFR, LANCL2 LMNA 139/4885MAPT 836/4885ALDH1A1 2238/4885

“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.