SCHEMBL5755634

SCHEMBL5755634

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CSC(c3ccccc3)N2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.54
CPB2 Q96IY4 1/20 0.44
CTSS P25774 3/20 0.40
KLKB1 P03952 1/20 0.39
METAP2 P50579 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CTSL P07711 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.38
CACNA1G O43497 1/20 0.37
LMNA P02545 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
SCHEMBL5354578 1.00 CACNA1B (0.54) CACNA1BCPB2CTSSKLKB1METAP2
SCHEMBL4836055 0.87 CACNA1B (0.51) CACNA1BCPB2CTSSKLKB1NPC1
SCHEMBL4836780 0.86 CACNA1B (0.50) CACNA1BCPB2CTSSKLKB1NPC1
SCHEMBL5353283 0.86 CACNA1B (0.57) CACNA1BCPB2CTSSKLKB1NPC1
SCHEMBL4846880 0.84 CACNA1B (0.48) CACNA1BCPB2CTSSNPC1RAB9A
SCHEMBL5344806 0.83 CACNA1B (0.54) CACNA1BCPB2CTSSNPC1RAB9A
SCHEMBL4845524 0.83 CACNA1B (0.54) CACNA1BCPB2CTSSNPC1RAB9A
Hydrochloric Acid SCHEMBL5343343 0.83 CACNA1B (0.53) CACNA1BCPB2CTSSNPC1RAB9A
Hydrochloric Acid SCHEMBL5363336 0.83 CACNA1B (0.53) CACNA1BCPB2CTSSNPC1RAB9A
SCHEMBL5345780 0.83 CACNA1B (0.51) CACNA1BCPB2CTSSNPC1RAB9A

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 3 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 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 3716/4885CTSS 1885/4885

“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.