SCHEMBL5352848

SCHEMBL5352848

COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.66
PPARG P37231 9/20 0.62
PPARA Q07869 9/20 0.62
PPARD Q03181 2/20 0.49
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
ACE P12821 1/20 0.45
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43

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
SCHEMBL3031211 0.85 PPARG (0.74) CACNA1BPPARGPPARAPPARDALDH1A1
SCHEMBL1277844 0.85 PPARG (0.74) CACNA1BPPARGPPARAPPARDALDH1A1
SCHEMBL1277840 0.85 PPARG (0.74) CACNA1BPPARGPPARAPPARDALDH1A1
SCHEMBL9727304 0.84 PPARG (0.72) CACNA1BPPARGPPARAPPARDALDH1A1
SCHEMBL5351427 0.83 CACNA1B (0.86) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5348393 0.83 CACNA1B (0.86) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5363900 0.82 CACNA1B (0.84) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5352831 0.82 CACNA1B (0.84) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5357656 0.82 CACNA1B (0.74) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5350157 0.82 CACNA1B (0.74) CACNA1BPPARGPPARAALDH1A1LMNA

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
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 CACNA1B 1/4885PPARG 4040/4885PPARA 4335/4885

“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.