SCHEMBL718199

SCHEMBL718199

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
SCHEMBL5221398 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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110759967-A Preparation method of carfilzomib 雅本化学股份有限公司 2020-02-07 CN claimed
US-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF ALBERTA RES CHEMICALS INC (CA) 2022-02-17 US disclosed
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-11-30 US disclosed
WO-2021095781-A1 CARRIER FOR TRANSFER INTO IMMUNE CELLS AND USE THEREOF 公立大学法人大阪 2021-05-20 WO disclosed
CN-110759967-A Preparation method of carfilzomib 雅本化学股份有限公司 2020-02-07 CN disclosed
CN-110759967-A Preparation method of carfilzomib 雅本化学股份有限公司 2020-02-07 CN 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
US-8724296-B2 Solid electrolytic capacitor and fabrication method thereof SANYO ELECTRIC CO., LTD. (JP) 2014-05-13 US disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed
US-4629736-A HIGH FIBRINOLYTIC ACTION; WATER SOLUBILITY; ANTICOAGULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-12-16 US disclosed
EP-0155809-A2 Renin inhibitors containing statine or derivatives thereof PFIZER INC. (US) 1985-09-25 EP disclosed
EP-0136879-A2 Fatty acid derivatives and processes of producing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1985-04-10 EP disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 EP disclosed
EP-0009898-B1 NOVEL ANTI-HYPERTENSIVE MERCAPTOACYLAMINO ACID DERIVATIVES, THEIR PREPARATION AND USE UNIVERSITY OF MIAMI (US) 1983-05-18 EP disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 EP disclosed
EP-0009898-A1 Novel anti-hypertensive mercaptoacylamino acid derivatives, their preparation and use UNIVERSITY OF MIAMI (US) 1980-04-16 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 (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 836/4885SLC15A1 1082/4885
US-11185594-B2 (Anti-HER2 antibody)-drug conjugate ERBB2, EGFR, LANCL2 LMNA 139/4885MAPT 836/4885SLC15A1 1082/4885
US-20220047698-A1 SYNTHETIC INNATE IMMUNE RECEPTOR LIGANDS AND USES THEREOF TLR3, TLR4, TLR9 LMNA 2602/4885MAPT 2520/4885SLC15A1 2828/4885

“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.