SCHEMBL4688423

SCHEMBL4688423

CC(C)(C)OC(=O)Nc1ccc(C(NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ CYP17A1 P05093 3/20 0.46
▸ FPR2 P25090 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL4688415 1.00 CTSS (0.50) CTSSCTSKCYP17A1FPR2PPARG
SCHEMBL3379447 0.92 CTSS (0.48) CTSSCTSKFPR2PTPN11CA12
SCHEMBL3379450 0.92 CTSS (0.48) CTSSCTSKFPR2PTPN11CA12
SCHEMBL11574358 0.90 CTSS (0.47) CTSSCTSKCYP17A1FPR2S1PR3
SCHEMBL11574507 0.89 CTSK (0.46) CTSSCTSKCYP17A1FPR2PPARG
SCHEMBL11573213 0.88 CTSK (0.50) CTSSCTSKFPR2PPARGPPARA
SCHEMBL11573047 0.88 CTSS (0.48) CTSSCTSKCYP17A1FPR2S1PR3
SCHEMBL11872857 0.88 CTSS (0.45) CTSSCTSKFPR2S1PR3PTPN11
SCHEMBL11574050 0.88 CTSS (0.45) CTSSCTSKFPR2PTPN11CA12
SCHEMBL28503846 0.87 TGM2 (0.46) CTSSCTSKFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427635-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-09-23 — — US disclosed
EP-1781649-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2008-08-13 — — EP disclosed
US-20060041146-A1 Substituted hydantoins HOFFMANN-LA ROCHE AG 2006-02-23 — — US disclosed
EP-0090240-A2 7-Alpha-aminoacyl-3-chlorocephalosporins, their preparation and their use as pharmaceutical products BAYER AG (DE) 1983-10-05 — — EP 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-20060041146-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885CYP17A1 1400/4885

“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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