SCHEMBL5354032

SCHEMBL5354032

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 1/20 0.61
CACNA1B Q00975 5/20 0.58
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CPB2 Q96IY4 1/20 0.46
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5345015 0.85 CACNA1B (0.61) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5753387 0.85 CACNA1B (0.58) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5348806 0.84 CACNA1B (0.53) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5356979 0.82 CACNA1B (0.59) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5351703 0.82 CACNA1B (0.78) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5354917 0.82 CACNA1B (0.71) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5350332 0.82 CACNA1B (0.71) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5350606 0.82 CACNA1B (0.57) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5361976 0.81 CACNA1B (0.57) ALDH1A1LMNACACNA1BKMT2AMEN1
SCHEMBL5348792 0.81 CACNA1B (0.57) ALDH1A1LMNACACNA1BKMT2AMEN1

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 ALDH1A1 3065/4885LMNA 2257/4885CACNA1B 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.