SCHEMBL2170626

SCHEMBL2170626

O=C([O-])C1(c2cccs2)CO1.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
LMNA P02545 2/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TP53 P04637 3/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6633029 0.82 ALDH1A1 (0.42) ALDH1A1HCAR2LMNACES2CES1
SCHEMBL9616640 0.77 MAPT (0.41) ALDH1A1HCAR2LMNATP53HTT
SCHEMBL8015875 0.73 ALDH1A1 (0.38) ALDH1A1HCAR2LMNATP53HTT
SCHEMBL7383033 0.69 ALDH1A1 (0.44) ALDH1A1HCAR2LMNATP53HTT
Potassium Ion SCHEMBL11295824 0.67 AKR1C1 (0.38) LMNAHTTKMT2AHDAC1HDAC2
SCHEMBL20505064 0.64 OPRM1 (0.45) ALDH1A1HCAR2TP53HTTKMT2A
SCHEMBL2795442 0.63 ALDH1A1 (0.51) ALDH1A1LMNATP53HTTMAPT
SCHEMBL754463 0.62 SLC6A3 (0.41) HCAR2LMNAKMT2A
SCHEMBL30243505 0.62 ALDH1A1 (0.47) ALDH1A1LMNATP53HTTMAPT
SCHEMBL11283171 0.62 OPRM1 (0.49) ALDH1A1HCAR2TP53HTTKMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190502-A1 PROCESS FOR THE PREPARATION OF S-CLOPIDOGREL SANDOZ AG (CH) 2011-08-04 US disclosed
EP-2346879-A1 A PROCESS FOR THE PREPARATION OF S-CLOPIDOGREL Sandoz AG (CH) 2011-07-27 EP disclosed
WO-2010046476-A1 A PROCESS FOR THE PREPARATION OF S-CLOPIDOGREL SANDOZ AG (CH) 2010-04-29 WO disclosed
EP-2168969-A2 Racemization and Enantiomer Separation of Clopidogrel TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-03-31 EP disclosed
EP-1483269-B1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMA (IL) 2009-10-14 EP disclosed
US-7446200-B2 Rapid resolution process of clopidogrel base and a process for preparation of clopidogrel bisulfate polymorph-form I USV, LTD. (IN) 2008-11-04 US disclosed
WO-2007144729-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CLOPIDOGREL ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2007-12-21 WO disclosed
EP-1848720-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2007-10-31 EP disclosed
US-7259261-B2 Racemization and enantiomer separation of clopidogrel TEVA Gyógyszergyár Zártkörűen Működő Részvénytársaság (HU) 2007-08-21 US disclosed
WO-2006087729-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2006-08-24 WO disclosed
US-20060074242-A1 Rapid resolution process of clopidogrel base and a process for preparation of clopidogrel bisulfate polymorph-form I USV LIMITED (IN) 2006-04-06 US disclosed
US-20050049275-A1 Racemization and enantiomer separation of clopidogrel ENTIRE INTEREST 2005-03-03 US disclosed
EP-1483269-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL Teva Pharmaceutical Industries Limited (IL) 2004-12-08 EP disclosed
US-6800759-B2 REACTING MIXTURE OF (R) AND (S) CLOPIDOGREL FREE BASE WITH LEVOROTATORY CAMPHORSULFONIC ACID IN C5 TO C12 HYDROCARBON TO PRECIPITATE (S) CLOPIDOGREL CAMPHORSULFONATE, CONVERTING TO FREE BASE, PRECIPITATING CLOPIDOGREL BISULFATE IN SOLVENT TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-10-05 US disclosed
US-6737411-B2 CRYSTALLIZING AS CAMPHOR SULFONATE SALT; CONVERTING PURIFIED MATERIAL BACK TO FREE BASE FORM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-05-18 US disclosed
WO-2004013147-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-02-12 WO disclosed
US-20040024012-A1 Racemization and enantiomer separation of clopidogrel TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-02-05 US disclosed
US-20040024011-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL TEVA PHARMACEUTICALS USA, INC. 2004-02-05 US disclosed
US-6080875-A REACTING A THIENYLGLYCIDIC DERIVATIVE WITH A PHENYLGLYCINE ESTER IN THE PRESENCE OF AN ALKALI METAL BOROHYDRIDE, DECYCLIZATION; PREPARING DRUGS FOR TREATING ANTI-PLATELET AGGREGATION AND ANTITHROMBOTIC ACTIVITIES SANOFI-SYNTHELABO (FR) 2000-06-27 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 (5 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-20060074242-A1 Rapid resolution process of clopidogrel base and a process for preparation of clopidogrel bisulfate polymorph-form I SRR, P2RY11, CYP2C19 ALDH1A1 362/4885HCAR2 694/4885LMNA 3209/4885
US-20040024012-A1 Racemization and enantiomer separation of clopidogrel SRR, TBXA2R, PTGIR ALDH1A1 1422/4885HCAR2 791/4885LMNA 4323/4885
US-20110190502-A1 PROCESS FOR THE PREPARATION OF S-CLOPIDOGREL SRR, P2RY13, P2RY11 ALDH1A1 1320/4885HCAR2 481/4885LMNA 3333/4885
US-20040024011-A1 RACEMIZATION AND ENANTIOMER SEPARATION OF CLOPIDOGREL SRR, TBXA2R, PTGIR ALDH1A1 1422/4885HCAR2 791/4885LMNA 4323/4885
US-20050049275-A1 Racemization and enantiomer separation of clopidogrel SRR, TBXA2R, PTGIR ALDH1A1 1422/4885HCAR2 791/4885LMNA 4323/4885

“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.