SCHEMBL9957186

SCHEMBL9957186

COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)[C@H]1CC=C(C)CC1)C1CCC2(CC1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.37
CYP2E1 P05181 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
SCHEMBL936947 1.00 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL2220415 1.00 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL12444738 0.96 NR1I2 (0.34) NR1I2CYP2E1
SCHEMBL2219526 0.92 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL9957527 0.92 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL12444690 0.92 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL14817014 0.92 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL13822270 0.92 NR1I2 (0.37) NR1I2CYP2E1
SCHEMBL17237532 0.91 NR1I2 (0.45) NR1I2CYP2E1
SCHEMBL9965182 0.88 RAF1 (0.32)

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
EP-2709613-B2 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2020-08-12 EP disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
US-10456414-B2 Methods for treating HCV GILEAD PHARMASSET LLC (US) 2019-10-29 US disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 EP disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170189439-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20170042961-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC 2017-02-16 US disclosed
US-20130273005-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130273005-A1 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130243726-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2013-09-19 US disclosed
US-20130243726-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2013-09-19 US disclosed
US-20130243726-A1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2013-09-19 US disclosed
US-8513298-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
WO-2013040492-A2 METHODS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2013-03-21 WO disclosed
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed
WO-2012087596-A1 COMBINATIONS FOR TREATING HCV GILEAD SCIENCES, INC. (US) 2012-06-28 WO disclosed
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US 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 (6 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-20130243726-A1 METHODS FOR TREATING HCV HAVCR2, DHFR, HCCS NR1I2 2775/4885CYP2E1 964/4885
US-10456414-B2 Methods for treating HCV HAVCR2, HCCS, LIPC NR1I2 3001/4885CYP2E1 834/4885
US-20130273005-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NR1I2 3001/4885CYP2E1 834/4885
US-20170189439-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NR1I2 3001/4885CYP2E1 834/4885
US-20170042961-A1 METHODS FOR TREATING HCV HAVCR2, HCCS, LIPC NR1I2 3001/4885CYP2E1 834/4885
US-20110178129-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 NR1I2 88/4885CYP2E1 6/4885

“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.