SCHEMBL5362079

SCHEMBL5362079

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.56
CPB2 Q96IY4 1/20 0.51
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.46
MMP1 P03956 2/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
CTSL P07711 2/20 0.42
CTSS P25774 2/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL5350332 0.89 CACNA1B (0.71) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5354917 0.89 CACNA1B (0.71) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5342586 0.87 CACNA1B (0.70) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5351839 0.87 CACNA1B (0.52) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5356004 0.87 CACNA1B (0.52) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5354524 0.87 ALDH1A1 (0.54) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL14626491 0.87 CACNA1B (0.53) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5411606 0.85 CTSS (0.54) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5347374 0.82 CACNA1B (0.49) CACNA1BCPB2ALDH1A1NPC1RAB9A
SCHEMBL5351406 0.82 CACNA1B (0.49) CACNA1BCPB2ALDH1A1NPC1RAB9A

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.