SCHEMBL5347346

SCHEMBL5347346

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

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.77
CPB2 Q96IY4 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ANPEP P15144 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP8 Q14790 1/20 0.41
MEN1 O00255 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
CTSL P07711 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
SCHEMBL5362287 0.87 CACNA1B (0.58) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5348792 0.86 CACNA1B (0.57) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5361976 0.86 CACNA1B (0.57) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5350228 0.85 CACNA1B (0.56) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5362306 0.85 CACNA1B (0.56) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5348996 0.85 CACNA1B (0.58) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5356175 0.85 CACNA1B (0.58) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5352497 0.85 CACNA1B (0.58) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5351877 0.84 CACNA1B (0.57) CACNA1BCPB2ALDH1A1KMT2ANPC1
SCHEMBL5344947 0.84 CACNA1B (0.55) CACNA1BCPB2ALDH1A1KMT2ANPC1

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 1/4885CPB2 3716/4885ALDH1A1 3065/4885

“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.