SCHEMBL2461674

SCHEMBL2461674

CCS(=O)(=O)c1cc2c(C(=O)OC)c(CBr)c(-c3cccc(C(F)(F)F)c3)nc2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 5/20 0.40
RORB Q92753 2/20 0.39
CTSA P10619 4/20 0.38
TRPV4 Q9HBA0 4/20 0.37
PLK1 P53350 1/20 0.37
DDR1 Q08345 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL2372623 0.93 TRPV4 (0.38) PTGFRRORBCTSATRPV4PLK1
SCHEMBL2372484 0.90 CTSA (0.38) PTGFRRORBCTSATRPV4PDE4B
SCHEMBL2373839 0.90 PTGFR (0.46) PTGFRRORBCTSA
SCHEMBL2372098 0.87 TRPV4 (0.40) PTGFRTRPV4PLK1
SCHEMBL2372142 0.86 CTSA (0.44) PTGFRRORBCTSATRPV4PLK1
SCHEMBL2373257 0.85 TRPV4 (0.39) PTGFRCTSATRPV4
SCHEMBL2465453 0.84 TRPV4 (0.38) PTGFRTRPV4
SCHEMBL2373699 0.84 CTSA (0.44) PTGFRRORBCTSATRPV4
SCHEMBL2372631 0.84 TRPV4 (0.39) PTGFRRORBCTSATRPV4
SCHEMBL2463806 0.83 DHODH (0.54) PTGFRRORBCTSA

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 5 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-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 PTGFR 703/4885RORB 1566/4885CTSA 1318/4885

“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.