SCHEMBL4988043

SCHEMBL4988043

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.42
PPARG P37231 5/20 0.41
PPARD Q03181 3/20 0.41
CHRM4 P08173 1/20 0.37
LSS P48449 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SCD O00767 1/20 0.35
FFAR1 O14842 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
SCHEMBL4988080 0.93 NAMPT (0.36) PPARACHRM4EPHX2NR1H4SCD
SCHEMBL4864969 0.93 SCD (0.42) PPARAPPARDCHRM4EPHX2NR1H4
SCHEMBL4988574 0.90 AOC3 (0.43) PPARACHRM4EPHX2NR1H4SCD
SCHEMBL4990336 0.89 SCD (0.38) PPARAPPARGPPARDSCD
SCHEMBL4991267 0.88 PPARA (0.42) PPARASCD
SCHEMBL4986164 0.88 AOC3 (0.35) PPARA
SCHEMBL4985031 0.87 ALDH1A1 (0.42) CHRM4SCD
SCHEMBL4871391 0.87 AOC3 (0.39)
SCHEMBL4990577 0.86 SCD (0.38) SCD
SCHEMBL4986021 0.86 AOC3 (0.34)

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.