SCHEMBL5353537

SCHEMBL5353537

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CCCO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 1/20 0.52
CACNA1B Q00975 3/20 0.52
CTSL P07711 3/20 0.48
CTSS P25774 3/20 0.48
CPB2 Q96IY4 1/20 0.47
HPGD P15428 2/20 0.46
MAPT P10636 1/20 0.45
CTSK P43235 1/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5352497 0.87 CACNA1B (0.58) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5348996 0.87 CACNA1B (0.58) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5356175 0.87 CACNA1B (0.58) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5351877 0.86 CACNA1B (0.57) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5344748 0.83 ALDH1A1 (0.51) ALDH1A1GAACTSLCTSSCPB2
SCHEMBL5752588 0.83 CACNA1B (0.51) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5349925 0.83 CACNA1B (0.51) ALDH1A1GAACACNA1BCTSLCTSS
SCHEMBL5754919 0.83 ALDH1A1 (0.59) ALDH1A1GAACACNA1BCTSLCTSS
Hydrochloric Acid SCHEMBL5353987 0.82 CACNA1B (0.51) ALDH1A1GAACACNA1BCTSLCTSS
Hydrochloric Acid SCHEMBL5350073 0.82 ALDH1A1 (0.58) ALDH1A1GAACACNA1BCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
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 ALDH1A1 3065/4885GAA 3754/4885CACNA1B 1/4885

“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.