SCHEMBL4822293

SCHEMBL4822293

COC(=O)c1ccc(-c2cc(NC(=O)OC(C)(C)C)ccc2C)cc1.Cc1ccc(NC(=O)OC(C)(C)C)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PTPN1 P18031 1/20 0.41
MAPK14 Q16539 7/20 0.41
EGFR P00533 1/20 0.41
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
LCK P06239 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4818608 0.95 CYP17A1 (0.46) CYP17A1CA12CA1CA9PTPN1
SCHEMBL2347126 0.94 CYP17A1 (0.47) CYP17A1CA12CA1CA9MAPK14
SCHEMBL2349306 0.85 PDK1 (0.46) CYP17A1CA12CA1CA9MAPK14
SCHEMBL4814686 0.81 MAPK14 (0.69) MAPK14
SCHEMBL18165108 0.81 CA12 (0.48) CYP17A1CA12CA1CA9
SCHEMBL5544961 0.80 CYP17A1 (0.61) CYP17A1PTPN1KMT2AMAPTALDH1A1
SCHEMBL3360413 0.79 CYP17A1 (0.63) CYP17A1MAPT
SCHEMBL2342676 0.79 PTGS2 (0.51) CA12CA1CA9MAPK14EGFR
SCHEMBL5098764 0.79 EGFR (0.54) CA12CA1CA9PTPN1MAPK14
SCHEMBL4315966 0.78 MEN1 (0.59) CYP17A1PTPN1KMT2AMAPTALDH1A1

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-7432289-B2 5-Acylamino-1,1′-biphenyl-4-carboxamide derivatives and their use as P38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2008-10-07 US disclosed
US-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242868-A1 5-acylamino-1,1'-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP3K1, MAPK7 CYP17A1 2044/4885CA12 4763/4885CA1 3606/4885

“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.