SCHEMBL4990336

SCHEMBL4990336

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(Oc3ccccc3)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.38
MAPK14 Q16539 2/20 0.37
KDR P35968 1/20 0.36
PPARA Q07869 9/20 0.36
PPARD Q03181 6/20 0.36
AOC3 Q16853 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
PPARG P37231 2/20 0.35
NR3C1 P04150 1/20 0.34
RAF1 P04049 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
SCHEMBL4864969 0.95 SCD (0.42) SCDPPARAPPARDAOC3
SCHEMBL4988080 0.90 NAMPT (0.36) SCDKDRPPARAAOC3
SCHEMBL4988574 0.89 AOC3 (0.43) SCDPPARAAOC3
SCHEMBL4988043 0.89 PPARA (0.42) SCDPPARAPPARDPPARG
SCHEMBL4990577 0.89 SCD (0.38) SCDAOC3
SCHEMBL4985430 0.88 AOC3 (0.39) AOC3
SCHEMBL4985031 0.88 ALDH1A1 (0.42) SCD
SCHEMBL4991267 0.88 PPARA (0.42) SCDPPARAAOC3
SCHEMBL4986164 0.87 AOC3 (0.35) PPARAAOC3
SCHEMBL4871391 0.86 AOC3 (0.39) 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 1 patent. 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

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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB SCD 715/4885MAPK14 2304/4885KDR 50/4885

“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.