SCHEMBL276196

SCHEMBL276196

COC(=O)c1sc(C)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.57
TRPM8 Q7Z2W7 1/20 0.56
ALDH1A1 P00352 5/20 0.55
HSD17B10 Q99714 1/20 0.55
DHODH Q02127 3/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 2/20 0.52
CDC7 O00311 1/20 0.50
DBF4 Q9UBU7 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALOX5 P09917 1/20 0.50
RORC P51449 1/20 0.49
GSTO1 P78417 1/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL1398686 0.88 GAA (0.50) NTRK1TRPM8ALDH1A1HPGDNPC1
SCHEMBL203775 0.86 ALDH1A1 (0.60) ALDH1A1DHODHMEN1KMT2AHPGD
SCHEMBL6492363 0.85 PTGDR2 (0.55) TRPM8ALDH1A1DHODHHPGDNPC1
SCHEMBL4719920 0.85 ALDH1A1 (0.52) TRPM8ALDH1A1HSD17B10DHODHHPGD
SCHEMBL8823153 0.85 ALDH1A1 (0.75) TRPM8ALDH1A1HSD17B10DHODHMEN1
SCHEMBL974923 0.84 TRPM8 (0.73) TRPM8ALDH1A1HPGDCDC7DBF4
SCHEMBL275863 0.83 NTRK1 (0.59) NTRK1ALDH1A1HSD17B10KMT2AHPGD
SCHEMBL27729658 0.83 NTRK1 (0.59) NTRK1ALDH1A1HSD17B10HPGDCDC7
SCHEMBL19669120 0.83 ALDH1A1 (0.72) TRPM8ALDH1A1HSD17B10DHODHMEN1
SCHEMBL11278098 0.83 LMNA (0.64) TRPM8ALDH1A1HSD17B10DHODHMEN1

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-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
EP-2943487-B1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2016-11-16 EP disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
WO-2014110298-A1 5-MEMBERED HETEROARYLS AND THEIR USE AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-07-17 WO disclosed
US-8133901-B2 3-heteroaryl (amino or amido)-1-(biphenyl or phenylthiazolyl) carbonylpiperidine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-13 US disclosed
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-18 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 (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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NTRK1 850/4885TRPM8 1252/4885ALDH1A1 1961/4885
US-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD NTRK1 4723/4885TRPM8 2813/4885ALDH1A1 372/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD NTRK1 4723/4885TRPM8 2813/4885ALDH1A1 372/4885
US-20100069418-A1 3-HETEROARYL (AMINO OR AMIDO)-1-(BIPHENYL OR PHENYLTHIAZOLYL) CARBONYLPIPERIDINE DERIVATIVES AS OREXIN RECEPTOR INHIBITORS HCRTR1, HCRTR2, NPY1R NTRK1 516/4885TRPM8 722/4885ALDH1A1 902/4885

“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.