SCHEMBL12871196

SCHEMBL12871196

COC(=O)C(Cc1ccc(Cl)cc1)NC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.52
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
ANPEP P15144 1/20 0.45
FPR2 P25090 1/20 0.45
PYGL P06737 1/20 0.44
ATM Q13315 2/20 0.43
ACACB O00763 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 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
SCHEMBL12871191 0.86 ESR1 (0.58) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL25453645 0.86 ATM (0.56) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL14304628 0.85 NOS2 (0.55) NOS2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL20850491 0.84 LDHA (0.54) ALDH1A1ACACBTSHR
SCHEMBL13323478 0.84 ACACB (0.49) NOS2ALDH1A1FPR2ACACBSLC6A2
SCHEMBL16252284 0.84 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL684443 0.84 ACACB (0.49) NOS2ALDH1A1FPR2ACACBSLC6A2
SCHEMBL25453629 0.84 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL13532075 0.84 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL26211010 0.84 NOS2 (0.54) NOS2ALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A NOS2 2158/4885ALDH1A1 1556/4885THRB 1499/4885

“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.