SCHEMBL3827342

SCHEMBL3827342

CC1=C(c2ccc(NC(=O)c3c(F)cccc3C(F)(F)F)cc2)CN(c2nccs2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.43
SCD O00767 1/20 0.42
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
WDR5 P61964 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CDK9 P50750 1/20 0.37
CDK6 Q00534 1/20 0.37
CDK11A Q9UQ88 1/20 0.37
TYK2 P29597 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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 0.92 TRPV1 (0.45) TRPV1HSD17B10RORCTYK2TP53
Hydrochloric Acid SCHEMBL3559784 0.91 TRPV1 (0.44) TRPV1HSD17B10RORCTYK2TP53
SCHEMBL10819913 0.90 TRPV1 (0.43) TRPV1ITGB1ITGA4HSD17B10TYK2
SCHEMBL3824697 0.89 TRPV1 (0.42) TRPV1HSD17B10TYK2TP53MAPT
SCHEMBL3950608 0.89 SCD (0.52) TRPV1SCDHSD17B10TP53ALDH1A1
SCHEMBL1783736 0.85 TRPV1 (0.44) TRPV1HSD17B10TP53ALDH1A1MAPT
SCHEMBL987720 0.85 TRPV1 (0.45) TRPV1HSD17B10RORCTYK2TP53
SCHEMBL1781223 0.85 RAB9A (0.47) TRPV1HSD17B10TP53ALDH1A1MAPT
SCHEMBL3828968 0.85 TRPV1 (0.45) TRPV1ITGB1ITGA4HSD17B10CDK9
SCHEMBL3829813 0.84 TRPV1 (0.44) TRPV1HSD17B10TYK2KMT2A

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 9 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
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 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
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

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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 TRPV1 111/4885SCD 3424/4885ITGB1 3478/4885
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 TRPV1 206/4885SCD 2952/4885ITGB1 3342/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885SCD 1423/4885ITGB1 2923/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 TRPV1 92/4885SCD 1423/4885ITGB1 2923/4885

“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.