SCHEMBL2372047

SCHEMBL2372047

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
TRPV4 Q9HBA0 11/20 0.40
SDHB P21912 1/20 0.40
ELANE P08246 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
TACR2 P21452 1/20 0.38
TACR3 P29371 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL2372765 0.93 PTGS2 (0.43) PTGS2TRPV4SDHBELANEMEN1
SCHEMBL2372955 0.88 DHODH (0.47) PTGS2SDHBELANE
SCHEMBL2373216 0.86 LMNA (0.51) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372251 0.86 TRPV4 (0.51) TRPV4TACR3NR1I2
SCHEMBL2372559 0.86 TRPV4 (0.50) TRPV4TACR2TACR3KCNH2CACNA1C
SCHEMBL2372631 0.85 TRPV4 (0.39) TRPV4SDHBTACR2TACR3KCNH2
SCHEMBL2373306 0.84 DHODH (0.51) TRPV4MEN1KMT2A
SCHEMBL2373287 0.84 TRPV4 (0.52) TRPV4MEN1KMT2ATACR3NR1I2
SCHEMBL2372098 0.83 TRPV4 (0.40) TRPV4SDHBMEN1KMT2ATACR2
SCHEMBL2465453 0.82 TRPV4 (0.38) TRPV4SDHBELANETACR2TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
US-8658636-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2014-02-25 US disclosed
EP-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130012499-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2013-01-10 US disclosed
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (1 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-20130012499-A1 TRPV4 ANTAGONISTS TRPV4, TRPV2, TRPV5 PTGS2 504/4885TRPV4 1/4885SDHB 2620/4885

“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.