SCHEMBL1417549

SCHEMBL1417549

COC(=O)[C@H](Br)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
ABCB11 O95342 2/20 0.43
THRB P10828 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2B6 P20813 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
P2RY12 Q9H244 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40

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
SCHEMBL661387 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL14009484 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL4596673 0.94 KMT2A (0.42) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL11276948 0.87 KMT2A (0.50) KMT2AALDH1A1
SCHEMBL9535176 0.86 CXCL8 (0.46) ABCB11ALDH1A1
SCHEMBL5327049 0.83 CASP1 (0.56) CASP1CYP2C19KMT2AALDH1A1
SCHEMBL30296727 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL26620210 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL6487230 0.81 ALDH1A1 (0.56) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL30065589 0.80 NR3C2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329751-B2 Process for the preparation of clopidogrel DIPHARMA S.P.A. (IT) 2008-02-12 US claimed
EP-1501838-B1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL DIPHARMA FRANCIS SRL (IT) 2007-04-11 EP claimed
US-20050143414-A1 Process for the preparation of clopidogrel DIPHARMA S.P.A. (IT) 2005-06-30 US claimed
EP-1501838-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL Dinamite Dipharma S.p.A. (in abbreviated form Dipharma S.p.A.) (IT) 2005-02-02 EP claimed
WO-2003093276-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL DIPHARMA S.P.A. (IT) 2003-11-13 WO claimed
US-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES ENZYTECH LTD. (KR) 2011-04-14 US disclosed
EP-2298777-A2 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES Enzytech, Ltd. (KR) 2011-03-23 EP disclosed
US-7329751-B2 Process for the preparation of clopidogrel DIPHARMA S.P.A. (IT) 2008-02-12 US disclosed
EP-1501838-B1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL DIPHARMA FRANCIS SRL (IT) 2007-04-11 EP disclosed
US-20050143414-A1 Process for the preparation of clopidogrel DIPHARMA S.P.A. (IT) 2005-06-30 US disclosed
EP-1501838-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL Dinamite Dipharma S.p.A. (in abbreviated form Dipharma S.p.A.) (IT) 2005-02-02 EP disclosed
WO-2003093276-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL DIPHARMA S.P.A. (IT) 2003-11-13 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 (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-20050143414-A1 Process for the preparation of clopidogrel CYP2C19, P2RY13, CYP2C9 CASP1 3061/4885ABCB11 631/4885THRB 2174/4885
US-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES PTGIS, PLA2G7, PTGIR CASP1 2505/4885ABCB11 755/4885THRB 4271/4885

“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.