SCHEMBL4086307

SCHEMBL4086307

COC(=O)C(Cc1ccc(Oc2ccc(Nc3ccccn3)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL8213080 1.00 KLK5 (0.48) KLK5HDAC8
SCHEMBL4081470 0.91 ITGB3 (0.54) HDAC8
SCHEMBL4727239 0.91 ITGB3 (0.54) HDAC8
SCHEMBL8203641 0.89 HDAC8 (0.46) HDAC8
SCHEMBL7105102 0.84 KLK5 (0.52) KLK5HDAC8
SCHEMBL2294118 0.84 KLK5 (0.61) KLK5HDAC8
SCHEMBL29721250 0.84 KLK5 (0.61) KLK5HDAC8
SCHEMBL2294112 0.84 KLK5 (0.61) KLK5HDAC8
SCHEMBL29103443 0.84 KLK5 (0.61) KLK5HDAC8
SCHEMBL1151387 0.82 KLK5 (0.51) KLK5HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082408-A1 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-03-26 US disclosed
US-20090082408-A1 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-03-26 US disclosed
US-20090082408-A1 NOVEL HETEROCYCLIC DERIVATIVES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-03-26 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-20090082408-A1 NOVEL HETEROCYCLIC DERIVATIVES CYP3A5, CYP3A7, UGT2B7 KLK5 1276/4885HDAC8 1113/4885

“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.