Sugi Predict

Sugi Predict / Compounds / SCHEMBL9975819

SCHEMBL9975819

SCHEMBL9975819

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.34
▸ CHRM4 P08173 5/20 0.34
▸ CHRM5 P08912 5/20 0.34
▸ CHRM1 P11229 5/20 0.34
▸ CHRM3 P20309 5/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ACKR3 P25106 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
SCHEMBL9975674 0.92 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10364959 0.92 CHRM3 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975704 0.91 ACHE (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975678 0.91 CD274 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975823 0.91 CHRM5 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10323778 0.90 CHRM5 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9941488 0.90 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9941790 0.90 SIGMAR1 (0.37) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10364837 0.90 CHRM3 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9975684 0.89 ALDH1A1 (0.40) 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 18 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-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-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-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-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 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM2 2882/4885CHRM4 3864/4885CHRM5 3426/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 CHRM2 3992/4885CHRM4 4410/4885CHRM5 4121/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E CHRM2 2882/4885CHRM4 3864/4885CHRM5 3426/4885

“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.