SCHEMBL2372849

SCHEMBL2372849

CCOc1cc2nc(-c3cccc(C(F)(F)F)c3)c(C)c(C(=O)OC)c2cc1SCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.44
PTGFR P43088 10/20 0.41
PDE10A Q9Y233 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
MAPK14 Q16539 1/20 0.38
CTSA P10619 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
SCHEMBL2466113 0.93 DHODH (0.46) DHODHPTGFRKDM4EGAAMEN1
SCHEMBL2373266 0.88 DHODH (0.47) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2372676 0.88 DHODH (0.49) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2373099 0.87 KDM4E (0.47) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2372892 0.85 DHODH (0.44) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2373280 0.85 DHODH (0.44) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2372897 0.85 DHODH (0.44) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2372351 0.83 DHODH (0.48) DHODHPTGFRKDM4EGAACTSA
SCHEMBL2373087 0.83 DHODH (0.42) DHODHPTGFRPDE10AKDM4EGAA
SCHEMBL2373263 0.82 TRPV4 (0.49) DHODHPTGFRKDM4EGAAMEN1

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 DHODH 2190/4885PTGFR 703/4885PDE10A 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.