SCHEMBL5028770

SCHEMBL5028770

O=C(O)[C@](c1ccccc1Cl)(N1CCc2sccc2C1)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.46
CYP2C19 P33261 3/20 0.42
ADRA2A P08913 2/20 0.42
CYP2B6 P20813 2/20 0.42
DRD1 P21728 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
HTR2B P41595 2/20 0.42
KCNH2 Q12809 2/20 0.42
THRB P10828 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
P2RY12 Q9H244 1/20 0.42
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL5918076 0.84 ABCB11 (0.46) ABCB11CYP2C19ADRA2ACYP2B6DRD1
Sulfuric Acid SCHEMBL6363639 0.84 ABCB11 (0.50) ABCB11CYP2C19ADRA2ACYP2B6DRD1
Sulfuric Acid SCHEMBL951856 0.84 ABCB11 (0.50) ABCB11CYP2C19ADRA2ACYP2B6DRD1
SCHEMBL1986102 0.83 ABCB11 (0.46) ABCB11CYP2C19ADRA2ACYP2B6DRD1
Sulfuric Acid SCHEMBL6363645 0.82 ABCB11 (0.48) ABCB11CYP2C19ADRA2ACYP2B6DRD1
Sulfuric Acid SCHEMBL6375982 0.82 ABCB11 (0.48) ABCB11CYP2C19ADRA2ACYP2B6DRD1
SCHEMBL954553 0.81 DRD1 (0.47) ABCB11CYP2C19ADRA2ACYP2B6DRD1
SCHEMBL1269320 0.81 DRD1 (0.47) ABCB11CYP2C19ADRA2ACYP2B6DRD1
SCHEMBL3628834 0.81 ABCB11 (0.44) ABCB11CYP2C19ADRA2ACYP2B6DRD1
Bromide SCHEMBL2087060 0.80 DRD1 (0.46) ABCB11CYP2C19ADRA2ACYP2B6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111440139-A Preparation method of clopidogrel sulfonate impurity 廊坊市泽康医药科技有限公司 2020-07-24 CN claimed
CN-109867684-B Preparation method of II-type clopidogrel hydrogen sulfate 武汉武药制药有限公司 2022-06-17 CN disclosed
CN-111440139-A Preparation method of clopidogrel sulfonate impurity 廊坊市泽康医药科技有限公司 2020-07-24 CN disclosed
CN-111440139-A Preparation method of clopidogrel sulfonate impurity 廊坊市泽康医药科技有限公司 2020-07-24 CN disclosed
CN-109867684-A A kind of preparation method of II type bisulfate clopidogrel 武汉武药制药有限公司 2019-06-11 CN disclosed
CN-101253179-B Novel resinate complex of S-clopidogrel and production method thereof CHONG KUN DANG PHARM CORP 2010-12-29 CN disclosed
US-20080226579-A1 Novel Resinate Complex of S-Clopidogrel and Production Method Thereof CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-09-18 US disclosed
CN-101253179-A Novel resinate complex of S-clopidogrel and production method thereof CHONG KUN DANG PHARM CORP (KR) 2008-08-27 CN disclosed
EP-1926736-A1 NOVEL RESINATE COMPLEX OF S-CLOPIDOGREL AND PRODUCTION METHOD THEREOF Chong Kun Dang Pharmaceutical Corp. (KR) 2008-06-04 EP disclosed
WO-2007035028-A1 NOVEL RESINATE COMPLEX OF S-CLOPIDOGREL AND PRODUCTION METHOD THEREOF CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2007-03-29 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 (1 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-20080226579-A1 Novel Resinate Complex of S-Clopidogrel and Production Method Thereof P2RY13, TAS2R40, TAS2R30 ABCB11 242/4885CYP2C19 273/4885ADRA2A 537/4885

“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.