SCHEMBL5356004

SCHEMBL5356004

COc1ccc(CNC(=O)[C@H](COCC2CCCCC2)NC(=O)C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.52
CPB2 Q96IY4 1/20 0.51
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL5351839 1.00 CACNA1B (0.52) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5354524 0.88 ALDH1A1 (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL14626491 0.88 CACNA1B (0.53) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5362079 0.87 CACNA1B (0.56) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5411606 0.85 CTSS (0.54) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5354917 0.85 CACNA1B (0.71) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5350332 0.85 CACNA1B (0.71) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5342586 0.84 CACNA1B (0.70) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5348996 0.83 CACNA1B (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5356175 0.83 CACNA1B (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1

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.