SCHEMBL1609792

SCHEMBL1609792

CCCCOC(=O)[C@H](c1ccccc1Cl)N(CC)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
TSHR P16473 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
RORC P51449 1/20 0.36
CASP1 P29466 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL1417521 0.86 OPRM1 (0.43) OPRM1RORCCASP1ALDH1A1MAPT
SCHEMBL1160304 0.86 OPRM1 (0.43) OPRM1RORCCASP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1159973 0.85 OPRM1 (0.42) OPRM1RORCCASP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28361730 0.85 OPRM1 (0.42) OPRM1RORCCASP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1159843 0.85 OPRM1 (0.42) OPRM1RORCCASP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1419666 0.83 OPRM1 (0.37) OPRM1TSHRTDP1RORCCASP1
SCHEMBL8020175 0.83 OPRM1 (0.46) OPRM1RORCCASP1TRPM8ALDH1A1
SCHEMBL7055718 0.83 OPRM1 (0.46) OPRM1RORCCASP1TRPM8ALDH1A1
Hydrochloric Acid SCHEMBL4846464 0.82 OPRM1 (0.45) OPRM1RORCCASP1TRPM8ALDH1A1
SCHEMBL5324567 0.73 TSHR (0.50) TSHRL3MBTL1TDP1CASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES ENZYTECH LTD. (KR) 2011-04-14 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 (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-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES PTGIS, PLA2G7, PTGIR OPRM1 1121/4885TSHR 3901/4885L3MBTL1 3398/4885

“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.