SCHEMBL4988041

SCHEMBL4988041

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.42
PPARG P37231 5/20 0.41
PPARD Q03181 3/20 0.41
LSS P48449 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CHRM4 P08173 1/20 0.37
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
DYRK1A Q13627 2/20 0.35

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
SCHEMBL4988070 0.92 KDR (0.37) PPARAEPHX2NR1H4
SCHEMBL4864961 0.92 SCD (0.42) EPHX2NR1H4
SCHEMBL4990330 0.88 KDR (0.38) PPARAPPARGPPARDEPHX2
SCHEMBL4988571 0.88 AOC3 (0.45) EPHX2NR1H4CHRM4
SCHEMBL4991261 0.88 PPARA (0.42) PPARADYRK1A
SCHEMBL4986159 0.87 AOC3 (0.37)
SCHEMBL4985026 0.86 ALDH1A1 (0.44) CHRM4
SCHEMBL4871385 0.86 AOC3 (0.41)
SCHEMBL4986016 0.85 AOC3 (0.36)
SCHEMBL4876799 0.85 PPARA (0.47) PPARAPPARGPPARDEPHX2NR1H4

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (2 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB PPARA 2346/4885PPARG 2414/4885PPARD 2704/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 PPARA 664/4885PPARG 867/4885PPARD 1086/4885

“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.