SCHEMBL5357922

SCHEMBL5357922

COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.73
CPB2 Q96IY4 1/20 0.45
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
CTSS P25774 4/20 0.37
CTSL P07711 3/20 0.37
PKM P14618 1/20 0.37
CTSK P43235 2/20 0.36
KLKB1 P03952 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 0.93 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5345740 0.93 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5349399 0.93 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5350462 0.93 CACNA1B (0.69) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5352312 0.93 CACNA1B (0.85) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5361319 0.92 CACNA1B (0.85) CACNA1BCPB2ALDH1A1CTSSCTSL
SCHEMBL4844358 0.92 CACNA1B (0.67) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4846551 0.92 CACNA1B (0.71) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4844475 0.92 CACNA1B (0.66) CACNA1BCPB2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4847501 0.92 CACNA1B (0.66) CACNA1BCPB2ALDH1A1KMT2ASMN1; 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 9 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
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 1/4885CPB2 3716/4885ALDH1A1 3065/4885

“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.