SCHEMBL5403965

SCHEMBL5403965

COc1ccc(COC(=O)[C@H](CC(=O)NC2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 7/20 0.73
EPHX2 P34913 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
EPHX1 P07099 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 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
SCHEMBL5351808 0.99 CACNA1B (0.72) CACNA1BEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL5433106 0.89 CACNA1B (0.58) CACNA1BEPHX2CYP3A4HPGDCYP2C19
SCHEMBL5355034 0.88 CACNA1B (0.58) CACNA1BEPHX2CYP3A4HPGDCYP2C19
SCHEMBL5350606 0.88 CACNA1B (0.57) CACNA1BEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL5755533 0.88 CACNA1B (0.72) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5348019 0.86 CACNA1B (0.55) CACNA1BEPHX2CYP1A2CYP3A4CYP2D6
SCHEMBL5346162 0.85 CACNA1B (1.00) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5350362 0.85 CACNA1B (1.00) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5353591 0.85 CACNA1B (1.00) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL5349474 0.85 CACNA1B (1.00) CACNA1BEPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885EPHX2 1138/4885CYP1A2 1895/4885

“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.