SCHEMBL5350467

SCHEMBL5350467

COc1ccc(CNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
ATM Q13315 1/20 0.42
CPB2 Q96IY4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5345730 1.00 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5349400 1.00 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5345749 1.00 CACNA1B (0.49) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5357927 0.94 CACNA1B (0.51) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5352649 0.92 KMT2A (0.48) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5112745 0.92 CACNA1B (0.47) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL4841915 0.92 CACNA1B (0.59) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL4847511 0.91 CACNA1B (0.47) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5754360 0.90 CACNA1B (0.45) CACNA1BKMT2AMEN1ALDH1A1LMNA
SCHEMBL5361820 0.90 CACNA1B (0.51) CACNA1BATM

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
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
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.