SCHEMBL5350462

SCHEMBL5350462

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.69
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
CPB2 Q96IY4 1/20 0.42
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL5345727 1.00 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5349399 1.00 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5345740 1.00 CACNA1B (0.69) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL14591493 0.94 CACNA1B (0.61) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5357922 0.93 CACNA1B (0.73) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5349378 0.93 CACNA1B (0.60) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5112735 0.93 CACNA1B (0.66) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL4841903 0.92 CACNA1B (0.81) CACNA1BKMT2AMEN1CPB2ATM
SCHEMBL4847501 0.91 CACNA1B (0.66) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5355436 0.91 CACNA1B (0.64) CACNA1BKMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US claimed
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 1/4885KMT2A 1929/4885MEN1 2633/4885

“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.