SCHEMBL5117077

SCHEMBL5117077

CCCCCN1C(=O)/C(=N\NC(=O)Nc2cccc(Cl)c2)c2cc(SCCCc3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KDR P35968 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 6/20 0.35
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 3/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL14287349 1.00 EPHX1 (0.37) EPHX1CA12CA1CA2KDR
SCHEMBL5117080 1.00 EPHX1 (0.37) EPHX1CA12CA1CA2KDR
SCHEMBL5124954 0.99 EPHX1 (0.39) EPHX1CA12CA1CA2KDR
SCHEMBL14287344 0.99 EPHX1 (0.39) EPHX1CA12CA1CA2KDR
SCHEMBL5123487 0.99 EPHX1 (0.39) EPHX1CA12CA1CA2KDR
SCHEMBL14287354 0.96 CA12 (0.40) EPHX1CA12CA1CA2KDR
SCHEMBL5116866 0.96 CA12 (0.40) EPHX1CA12CA1CA2KDR
SCHEMBL5126364 0.96 CA12 (0.40) EPHX1CA12CA1CA2KDR
SCHEMBL14287364 0.93 TRPV1 (0.38) TP53SMN1; SMN2MAPT
SCHEMBL5117261 0.93 TRPV1 (0.38) TP53SMN1; SMN2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US claimed
US-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-03 US 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-20080004274-A1 Novel biaromatic compounds that modulate PPAR type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA EPHX1 1445/4885CA12 4873/4885CA1 4882/4885

“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.