SCHEMBL5350107

SCHEMBL5350107

COc1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C2CNCCS2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
CPB2 Q96IY4 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 1/20 0.36
CASP8 Q14790 1/20 0.36
CTSK P43235 1/20 0.35
KLKB1 P03952 1/20 0.35

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
SCHEMBL5348663 0.89 CACNA1B (0.52) CACNA1BCPB2ALDH1A1LMNASMN1; SMN2
SCHEMBL5344664 0.87 CACNA1B (0.50) CACNA1BCPB2ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5428599 0.86 CACNA1B (0.49) CACNA1BCPB2ALDH1A1LMNASMN1; SMN2
SCHEMBL5754919 0.85 ALDH1A1 (0.59) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL5350073 0.84 ALDH1A1 (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5356175 0.84 CACNA1B (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5348996 0.84 CACNA1B (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5352497 0.84 CACNA1B (0.58) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1
SCHEMBL5350098 0.83 CACNA1B (0.53) CACNA1BCPB2ALDH1A1LMNASMN1; SMN2
SCHEMBL5351877 0.83 CACNA1B (0.57) CACNA1BCPB2ALDH1A1SMN1; SMN2NPC1

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 1/4885CPB2 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.