SCHEMBL4988080

SCHEMBL4988080

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(C(=O)NCc2ccncc2)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.36
KDR P35968 4/20 0.35
SCD O00767 2/20 0.35
FLT1 P17948 2/20 0.35
AOC3 Q16853 5/20 0.34
PPARA Q07869 1/20 0.33
CHRM4 P08173 1/20 0.33
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL4864969 0.94 SCD (0.42) SCDAOC3PPARACHRM4EPHX2
SCHEMBL4988043 0.93 PPARA (0.42) SCDPPARACHRM4EPHX2NR1H4
SCHEMBL4985031 0.91 ALDH1A1 (0.42) NAMPTSCDCHRM4
SCHEMBL4988574 0.91 AOC3 (0.43) NAMPTSCDAOC3PPARACHRM4
SCHEMBL4990336 0.90 SCD (0.38) KDRSCDAOC3PPARA
SCHEMBL4991267 0.90 PPARA (0.42) SCDAOC3PPARA
SCHEMBL4986164 0.89 AOC3 (0.35) AOC3PPARA
SCHEMBL4871391 0.88 AOC3 (0.39) AOC3
SCHEMBL4990577 0.88 SCD (0.38) SCDAOC3
SCHEMBL4986021 0.87 AOC3 (0.34) AOC3

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 NAMPT 738/4885KDR 50/4885SCD 715/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 NAMPT 734/4885KDR 56/4885SCD 818/4885

“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.