SCHEMBL4985684

SCHEMBL4985684

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(CN2CCC[C@@H](C(=O)N(C)C)C2)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.38
KDM4E B2RXH2 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
AOC3 Q16853 10/20 0.35
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
OPRK1 P41145 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4984562 1.00 OGA (0.38) OGAKDM4EOPRM1OPRD1AOC3
SCHEMBL5551598 0.97 AOC3 (0.35) OGAKDM4EOPRM1OPRD1AOC3
SCHEMBL5500623 0.97 AOC3 (0.35) OGAKDM4EOPRM1OPRD1AOC3
SCHEMBL4987492 0.93 AOC3 (0.36) OGAAOC3
SCHEMBL4985391 0.92 OGA (0.41) OGAKDM4EOPRM1OPRD1AOC3
SCHEMBL4984538 0.92 OGA (0.41) OGAKDM4EOPRM1OPRD1AOC3
SCHEMBL4987401 0.89 AOC3 (0.36) OGAAOC3
SCHEMBL5504270 0.89 OGA (0.37) OGAAOC3
SCHEMBL5545473 0.89 OGA (0.37) OGAAOC3
SCHEMBL4988915 0.86 AOC3 (0.40) OGAKDM4EAOC3ALDH1A1

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 OGA 1488/4885KDM4E 3439/4885OPRM1 2300/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 OGA 990/4885KDM4E 2818/4885OPRM1 2594/4885

“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.