SCHEMBL2372955

SCHEMBL2372955

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.47
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 3/20 0.42
SDHB P21912 1/20 0.42
GAA P10253 1/20 0.42
PTGFR P43088 6/20 0.42
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
NR1H2 P55055 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
SCN9A Q15858 1/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2372133 0.92 DHODH (0.54) DHODHPTGS2KDM4ESDHBGAA
SCHEMBL2372047 0.88 PTGS2 (0.43) PTGS2SDHBELANE
SCHEMBL2517454 0.87 DHODH (0.42) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2372941 0.86 DHODH (0.48) DHODHKDM4ESDHBGAAPTGFR
SCHEMBL2373092 0.85 KDM4E (0.56) DHODHKDM4EGAAPTGFRLMNA
SCHEMBL2372769 0.85 PTGFR (0.54) DHODHKDM4EPTGFRCYP1A2CYP2C9
SCHEMBL2372822 0.85 DHODH (0.49) DHODHKDM4EGAAPTGFRMAPT
SCHEMBL2373011 0.85 DHODH (0.58) DHODHKDM4EGAAPTGFRSMN1; SMN2
SCHEMBL2373180 0.85 DHODH (0.54) DHODHKDM4EGAAPTGFRCYP1A2
SCHEMBL2373301 0.84 DHODH (0.47) DHODHKDM4ESDHBGAAPTGFR

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 2190/4885PTGS2 504/4885KDM4E 1491/4885

“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.