SCHEMBL3824697

SCHEMBL3824697

CC1=C(c2ccc(NC(=O)c3c(O)cccc3F)cc2)CN(c2nccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.42
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
NOD2 Q9HC29 1/20 0.37
IL2 P60568 3/20 0.36
TNF P01375 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A7 Q99884 1/20 0.35
TP53 P04637 2/20 0.35
WNT1 P04628 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 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
SCHEMBL987860 0.95 TRPV1 (0.45) TRPV1HSD17B10HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL3559784 0.94 TRPV1 (0.44) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL10819913 0.92 TRPV1 (0.43) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL16472144 0.90 TRPV1 (0.42) TRPV1HSD17B10HTTJAK2JAK1
SCHEMBL3827342 0.89 TRPV1 (0.43) TRPV1HSD17B10TYK2KMT2ATP53
SCHEMBL1783736 0.88 TRPV1 (0.44) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL987720 0.87 TRPV1 (0.45) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL1781223 0.87 RAB9A (0.47) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL1783734 0.86 TRPV1 (0.44) TRPV1HSD17B10HTTNPC1RAB9A
SCHEMBL3829813 0.86 TRPV1 (0.44) TRPV1HSD17B10HTTNPC1RAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
EP-2086326-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 WO disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 TRPV1 111/4885HSD17B10 3571/4885HTT 3248/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 TRPV1 206/4885HSD17B10 2343/4885HTT 2560/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885HSD17B10 2103/4885HTT 2260/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885HSD17B10 2103/4885HTT 2260/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885HSD17B10 2103/4885HTT 2260/4885

“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.