SCHEMBL5345015

SCHEMBL5345015

COc1ccc(CNC(=O)[C@H](COC2CCCCC2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.61
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CPB2 Q96IY4 1/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
HTRA1 Q92743 1/20 0.42
REN P00797 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
SCHEMBL5356979 0.90 CACNA1B (0.59) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5354917 0.87 CACNA1B (0.71) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5350332 0.87 CACNA1B (0.71) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5351703 0.87 CACNA1B (0.78) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5354609 0.86 ALDH1A1 (0.51) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5753387 0.86 CACNA1B (0.58) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5354032 0.85 ALDH1A1 (0.61) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL14591366 0.85 CACNA1B (0.76) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5342586 0.85 CACNA1B (0.70) CACNA1BALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL7110439 0.85 CPB2 (0.47) CACNA1BALDH1A1LMNASMN1; 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 8 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
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 1/4885ALDH1A1 3065/4885LMNA 2257/4885

“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.