SCHEMBL6591045

SCHEMBL6591045

CC(C)(C)OC(=O)Nc1ccnc(CCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SREBF2 Q12772 1/20 0.49
▸ CYP17A1 P05093 3/20 0.43
▸ ATR Q13535 1/20 0.43
▸ AURKA O14965 3/20 0.43
▸ RPS6KB1 P23443 3/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ MAPKAPK2 P49137 2/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ ACSS2 Q9NR19 1/20 0.39
▸ PRKCI P41743 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
SCHEMBL28583813 0.91 SREBF2 (0.47) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL23168284 0.84 SREBF2 (0.47) SREBF2CYP17A1ATRAURKARPS6KB1
Acetic Acid SCHEMBL28084883 0.83 SREBF2 (0.46) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL30955414 0.83 ATR (0.49) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL28916940 0.82 SREBF2 (0.46) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL30530884 0.81 SREBF2 (0.45) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL13387936 0.80 SREBF2 (0.46) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL30955481 0.80 SREBF2 (0.44) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL28152360 0.80 SREBF2 (0.44) SREBF2CYP17A1ATRAURKARPS6KB1
SCHEMBL30955460 0.79 SREBF2 (0.46) SREBF2CYP17A1ATRAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177186-B1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS AVENTIS PHARMA LTD (GB) 2004-03-31 — — EP disclosed
US-6620832-B2 Inhibitor of alpha 4 beta 1 mediated cell adhesion; treatment for asthma and antiinflammatory AVENTIS PHARMA LTD. (GB) 2003-09-16 — — US disclosed
US-20020082255-A1 Substituted ureas AVENTIS PHARMA LIMITED (GB) 2002-06-27 — — US disclosed
EP-1177186-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS Aventis Pharma Limited (GB) 2002-02-06 — — EP disclosed
WO-2000068223-A1 UREAS AND THEIR USE AS CELL ADHESION MODULATORS 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-20020082255-A1 Substituted ureas VCAM1, ITGA1, ITGB1 SREBF2 4139/4885CYP17A1 1708/4885ATR 3843/4885

“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.

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