SCHEMBL5348792

SCHEMBL5348792

COc1ccc(CNC(=O)[C@@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.57
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
CPB2 Q96IY4 1/20 0.49
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
REN P00797 4/20 0.44
MEN1 O00255 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
SCHEMBL5361976 1.00 CACNA1B (0.57) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5350228 0.99 CACNA1B (0.56) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5362306 0.99 CACNA1B (0.56) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5350213 0.91 PPARG (0.50) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5124533 0.91 CTSS (0.49) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL4846817 0.90 CACNA1B (0.59) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL14513815 0.90 PPARG (0.51) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5361592 0.89 CACNA1B (0.48) CACNA1BPPARGPPARAALDH1A1LMNA
SCHEMBL5356337 0.88 CACNA1B (0.46) CACNA1BPPARGPPARACTSSCTSK
SCHEMBL5349086 0.88 PSMB1 (0.51) CACNA1BPPARGPPARAREN

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 9 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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP 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.