SCHEMBL9975734

SCHEMBL9975734

CCN1CCC(c2cc(-c3cccc(NC(C)=O)c3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
ACP1 P24666 1/20 0.40
CHRM2 P08172 8/20 0.38
CHRM4 P08173 8/20 0.38
CHRM5 P08912 8/20 0.38
CHRM1 P11229 8/20 0.38
CHRM3 P20309 8/20 0.38
PRKDC P78527 1/20 0.38
CHEK1 O14757 1/20 0.36
STK17B O94768 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL10324379 1.00 NQO2 (0.41) NQO2ACP1CHRM2CHRM4CHRM5
SCHEMBL9975649 0.93 CHRM5 (0.43) NQO2ACP1CHRM2CHRM4CHRM5
SCHEMBL9975652 0.93 KIT (0.37) ACP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9975823 0.90 CHRM5 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975820 0.89 ACKR3 (0.40) LMNAKDM4EMAPT
SCHEMBL10324472 0.89 ACKR3 (0.40) LMNAKDM4EMAPT
SCHEMBL10325346 0.87 ABL1 (0.35) ACP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9975761 0.87 ABL1 (0.35) ACP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL10324357 0.87 PTPN1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975796 0.87 PTPN1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10426762-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL PHARMA, INC. (US) 2019-10-01 US disclosed
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase COCRYSTAL PHARMA, INC. 2017-09-28 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-9707215-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL, DISCOVERY, INC. (US) 2017-07-18 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA, INC. 2015-07-02 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY INC (US) 2014-10-30 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-07-19 US disclosed
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 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 (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-10426762-B2 Inhibitors of hepatitis C virus polymerase POLR2E, POLR2H, GTF3C3 NQO2 352/4885ACP1 2397/4885CHRM2 3992/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NQO2 341/4885ACP1 2404/4885CHRM2 2882/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 NQO2 352/4885ACP1 2397/4885CHRM2 3992/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 NQO2 352/4885ACP1 2397/4885CHRM2 3992/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NQO2 341/4885ACP1 2404/4885CHRM2 2882/4885

“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.