SCHEMBL5118882

SCHEMBL5118882

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.52
ATM Q13315 1/20 0.43
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
METAP2 P50579 1/20 0.33
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CPB2 Q96IY4 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5353338 0.85 CACNA1B (0.49) CACNA1BATMKMT2AHSD17B10CTSS
SCHEMBL5123631 0.83 CACNA1B (0.54) CACNA1BATMHSD17B10METAP2MAPK1
SCHEMBL5344710 0.83 CACNA1B (0.52) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5112735 0.83 CACNA1B (0.66) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5124712 0.82 CACNA1B (0.51) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5117630 0.82 CACNA1B (0.51) CACNA1BATMKMT2AHSD17B10MEN1
SCHEMBL5113167 0.82 CACNA1B (0.53) CACNA1BATMKMT2AHSD17B10SMN1; SMN2
SCHEMBL5110969 0.82 CACNA1B (0.63) CACNA1BATMKMT2AHSD17B10
SCHEMBL5364041 0.82 CACNA1B (0.54) CACNA1BATMHSD17B10POLBSMN1; SMN2
SCHEMBL5345740 0.82 CACNA1B (0.69) CACNA1BATMKMT2AHSD17B10CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885ATM 2618/4885KMT2A 1244/4885

“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.