SCHEMBL5351151

SCHEMBL5351151

COc1ccc(CNC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.69
▸ PPARA Q07869 3/20 0.64
▸ PPARG P37231 2/20 0.59
▸ KLK7 P49862 2/20 0.54
▸ KLK5 Q9Y337 2/20 0.54
▸ RAB9A P51151 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA5A P35218 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA13 Q8N1Q1 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ CA5B Q9Y2D0 1/20 0.51

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
SCHEMBL11985033 0.93 CTSS (0.79) CTSSPPARAPPARGKLK7KLK5
SCHEMBL18766807 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL18766806 0.87 CTSS (0.67) CTSSCTSKCTSLCTSBPSMB1
SCHEMBL993498 0.87 CTSS (0.59) CTSSPPARACA12CA1CA2
SCHEMBL19316010 0.86 PPARA (0.67) CTSSPPARAPPARGKLK7KLK5
SCHEMBL21582596 0.85 CTSK (0.68) CTSSPPARAPPARGCA12CA1
SCHEMBL16228449 0.85 PPARA (0.60) CTSSPPARAPPARGKLK7KLK5
SCHEMBL16228448 0.85 PPARA (0.60) CTSSPPARAPPARGKLK7KLK5
SCHEMBL16228447 0.85 PPARA (0.60) CTSSPPARAPPARGKLK7KLK5
SCHEMBL14058164 0.85 PPARA (0.74) CTSSPPARAPPARGKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 — — EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 — — US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 — — EP claimed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 — — US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 — — US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 — — 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A CTSS 1885/4885PPARA 4335/4885PPARG 4040/4885

“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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