SCHEMBL2372484

SCHEMBL2372484

COC(=O)c1c(CBr)c(-c2cccc(C(F)(F)F)c2)nc2cc(OC)c(S(=O)(=O)C(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.38
TRPV4 Q9HBA0 5/20 0.38
ELANE P08246 1/20 0.38
RORB Q92753 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
PTGFR P43088 4/20 0.37
TACR2 P21452 1/20 0.37
TACR3 P29371 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
SOS1 Q07889 2/20 0.37
KRAS P01116 1/20 0.37
PDE4B Q07343 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
SCHEMBL2373257 0.93 TRPV4 (0.39) CTSATRPV4PTGFRTACR2TACR3
SCHEMBL2461674 0.90 PTGFR (0.40) CTSATRPV4RORBPTGFRPDE4B
SCHEMBL2371632 0.89 DHODH (0.45) CTSARORBAKR1C3AKR1C2PTGFR
SCHEMBL2465453 0.86 TRPV4 (0.38) TRPV4ELANEPTGFRTACR2TACR3
SCHEMBL2372142 0.85 CTSA (0.44) CTSATRPV4RORBPTGFR
SCHEMBL2372098 0.84 TRPV4 (0.40) TRPV4PTGFRTACR2TACR3KCNH2
SCHEMBL2372623 0.84 TRPV4 (0.38) CTSATRPV4RORBPTGFR
SCHEMBL2373087 0.83 DHODH (0.42) CTSAPTGFRSOS1
SCHEMBL14553164 0.83 DHODH (0.47) CTSAPTGFR
SCHEMBL2373699 0.83 CTSA (0.44) CTSATRPV4RORBPTGFR

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 CTSA 1318/4885TRPV4 1/4885ELANE 4469/4885

“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.