SCHEMBL9975678

SCHEMBL9975678

CC1CCC(C2=C(c3cc(-c4ccccc4)sc3C(=O)O)CCN(CC(=O)O)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.36
CHRM5 P08912 10/20 0.35
CHRM1 P11229 10/20 0.35
CHRM2 P08172 9/20 0.35
CHRM4 P08173 9/20 0.35
CHRM3 P20309 9/20 0.35
ATM Q13315 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
PTPN1 P18031 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTPRF P10586 1/20 0.32

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
SCHEMBL10366049 0.94 KDM4E (0.35) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975823 0.93 CHRM5 (0.42) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975819 0.91 CHRM2 (0.34) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975674 0.90 ALDH1A1 (0.36) CD274CHRM5CHRM1CHRM2CHRM4
SCHEMBL9941374 0.90 CHRM2 (0.36) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL10364959 0.90 CHRM3 (0.36) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9975717 0.90 ACHE (0.38) CHRM5CHRM1CHRM2CHRM3ALDH1A1
SCHEMBL9975704 0.89 ACHE (0.41) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL10323778 0.88 CHRM5 (0.35) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL9941488 0.88 ALDH1A1 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3

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 14 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-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
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

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 CD274 4468/4885CHRM5 4121/4885CHRM1 3102/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CD274 3925/4885CHRM5 3426/4885CHRM1 1499/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CD274 4468/4885CHRM5 4121/4885CHRM1 3102/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CD274 4468/4885CHRM5 4121/4885CHRM1 3102/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CD274 3925/4885CHRM5 3426/4885CHRM1 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.