SCHEMBL4027147

SCHEMBL4027147

COC(=O)C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.46
PPARG P37231 2/20 0.41
PPARA Q07869 1/20 0.41
MAPKAPK2 P49137 4/20 0.41
PSMB8 P28062 1/20 0.41
NAMPT P43490 1/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN11 Q06124 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL5700944 1.00 CYP17A1 (0.46) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL4030831 0.93 CYP17A1 (0.46) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL7105236 0.88 CYP17A1 (0.46) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL7105239 0.88 CYP17A1 (0.46) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL7103624 0.88 CYP17A1 (0.46) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL5700914 0.83 CYP17A1 (0.47) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL5700917 0.83 CYP17A1 (0.47) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL23818376 0.82 CYP17A1 (0.49) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL16277092 0.82 CYP17A1 (0.49) CYP17A1PPARGPPARAMAPKAPK2PSMB8
SCHEMBL31471413 0.80 CYP17A1 (0.45) CYP17A1PPARGPPARAMAPKAPK2PSMB8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177181-B1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LTD (GB) 2009-01-28 EP disclosed
EP-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6562851-B2 Antiinflammatory and antiasthmatic agents; inhibitors of alpha4 beta1 mediated cell adhesion AVENTIS PHARMA LIMITED (GB) 2003-05-13 US disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed
US-20020156111-A1 Substituted bicyclic compounds AVENTIS PHARMA LIMITED (GB) 2002-10-24 US disclosed
EP-1177181-A1 SUBSTITUTED BICYCLIC COMPOUNDS Aventis Pharma Limited (GB) 2002-02-06 EP disclosed
WO-2000068213-A1 SUBSTITUTED BICYCLIC COMPOUNDS AVENTIS PHARMA LIMITED (GB) 2000-11-16 WO 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-20020156111-A1 Substituted bicyclic compounds VCAM1, ITGA1, ITGA5 CYP17A1 836/4885PPARG 1273/4885PPARA 1177/4885

“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.