SCHEMBL4081470

SCHEMBL4081470

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
PTPN1 P18031 3/20 0.54
ACE P12821 1/20 0.52
HDAC8 Q9BY41 1/20 0.50
SCN9A Q15858 1/20 0.47
MDM4 O15151 1/20 0.47
MDM2 Q00987 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
SCHEMBL4727239 1.00 ITGB3 (0.54) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL8213080 0.91 KLK5 (0.48) HDAC8
SCHEMBL4086307 0.91 KLK5 (0.48) HDAC8
SCHEMBL8203641 0.90 HDAC8 (0.46) HDAC8
SCHEMBL4739863 0.89 ACE (0.60) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL3923929 0.84 ACE (0.65) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL3923937 0.84 ACE (0.65) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL3925152 0.84 ACE (0.65) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL2290444 0.84 ACE (0.65) ITGB3ITGA2BPTPN1ACEHDAC8
Hydrochloric Acid SCHEMBL4085745 0.84

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-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 ITGB3 3666/4885ITGA2B 3255/4885PTPN1 3929/4885

“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.