SCHEMBL9941407

SCHEMBL9941407

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

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.46
CYP2E1 P05181 1/20 0.44

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
SCHEMBL9975714 1.00 NR1I2 (0.46) NR1I2CYP2E1
SCHEMBL9941479 0.94 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL9975788 0.93 NR1I2 (0.46) NR1I2CYP2E1
SCHEMBL15639462 0.91 NR1I2 (0.41) NR1I2CYP2E1
SCHEMBL9975771 0.91 NR1I2 (0.40) NR1I2CYP2E1
SCHEMBL9975680 0.89 NR1I2 (0.45) NR1I2CYP2E1
SCHEMBL9976058 0.88 NR1I2 (0.45) NR1I2CYP2E1
SCHEMBL10324333 0.86 GRM5 (0.39) NR1I2CYP2E1
SCHEMBL9941889 0.86 NR1I2 (0.33) NR1I2CYP2E1
SCHEMBL19135575 0.84 CYP2E1 (0.45) NR1I2CYP2E1

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 20 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-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
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 (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 NR1I2 115/4885CYP2E1 105/4885
US-20120183496-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NR1I2 126/4885CYP2E1 142/4885
US-20150182514-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2E, POLR2H, GTF3C3 NR1I2 115/4885CYP2E1 105/4885
US-20170273962-A1 Inhibitors of Hepatitis C Virus Polymerase POLR2E, POLR2H, GTF3C3 NR1I2 115/4885CYP2E1 105/4885
US-20140322165-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE POLR2A, POLR2B, POLR2E NR1I2 126/4885CYP2E1 142/4885

“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.