SCHEMBL9941790

SCHEMBL9941790

CCCCN1CCC(c2cc(-c3ccccc3)sc2C(=O)O)=C(C2CCC(C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.37
CHRM3 P20309 9/20 0.36
CHRM2 P08172 8/20 0.36
CHRM4 P08173 8/20 0.36
CHRM5 P08912 8/20 0.36
CHRM1 P11229 8/20 0.36
HRH3 Q9Y5N1 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
ACKR3 P25106 1/20 0.35

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
SCHEMBL10364837 0.97 CHRM3 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL10364959 0.95 CHRM3 (0.36) SIGMAR1CHRM3CHRM2CHRM4CHRM5
SCHEMBL10323778 0.93 CHRM5 (0.35) SIGMAR1CHRM3CHRM2CHRM4CHRM5
SCHEMBL9941488 0.93 ALDH1A1 (0.38) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9975823 0.92 CHRM5 (0.42) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9975684 0.91 ALDH1A1 (0.40) SIGMAR1CHRM3CHRM2CHRM4CHRM5
SCHEMBL9975674 0.91 ALDH1A1 (0.36) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL9975662 0.91 SIGMAR1 (0.42) SIGMAR1CHRM3CHRM2CHRM4CHRM5
SCHEMBL9975704 0.90 ACHE (0.41) SIGMAR1CHRM3CHRM2CHRM4CHRM5
SCHEMBL9975819 0.90 CHRM2 (0.34) CHRM3CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-8771665-B2 Inhibitors of hepatitis C virus polymerase COCRYSTAL DISCOVERY, INC. (US) 2014-07-08 US disclosed
EP-2651906-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE Cocrystal Discovery, Inc. (US) 2013-10-23 EP 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
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
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 (4 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-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E SIGMAR1 217/4885CHRM3 3113/4885CHRM2 2882/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 SIGMAR1 270/4885CHRM3 3250/4885CHRM2 3992/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 SIGMAR1 270/4885CHRM3 3250/4885CHRM2 3992/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E SIGMAR1 217/4885CHRM3 3113/4885CHRM2 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.