SCHEMBL2491656

SCHEMBL2491656

C=CCS(=O)(=O)c1cc2c(C(=O)O)c(C)c(-c3ccccc3)nc2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 6/20 0.49
DHODH Q02127 12/20 0.49
PDE10A Q9Y233 2/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2515841 0.93 DHODH (0.52) PTGFRDHODHCYP3A4
SCHEMBL2494533 0.87 PDE10A (0.52) PTGFRDHODHPDE10ATSHR
SCHEMBL5202630 0.81 PDE10A (0.66) PTGFRDHODHPDE10ATSHR
SCHEMBL2463806 0.78 DHODH (0.54) PTGFRDHODHPDE10ATSHR
SCHEMBL2462205 0.77 PDE10A (0.60) PTGFRDHODHPDE10ATSHRCYP3A4
SCHEMBL2465008 0.77 DHODH (0.63) DHODHPDE10ATSHR
SCHEMBL2514667 0.77 DHODH (0.59) PTGFRDHODHPDE10ATSHRCYP3A4
SCHEMBL2807617 0.73 PDE10A (0.77) DHODHPDE10ATSHR
SCHEMBL18075791 0.72 PDE10A (0.75) PTGFRDHODHPDE10ATSHR
SCHEMBL2514004 0.72 DHODH (0.53) PTGFRDHODHCYP3A4

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 703/4885DHODH 2190/4885PDE10A 2268/4885

“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.