SCHEMBL5124536

SCHEMBL5124536

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)NCc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
CACNA1B Q00975 6/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
REN P00797 3/20 0.41
CYP3A4 P08684 1/20 0.41
SRC P12931 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4846824 0.88 CTSK (0.46) CTSKCTSSCACNA1BALDH1A1LMNA
SCHEMBL5349089 0.87 PSMB1 (0.51) CTSKCACNA1B
SCHEMBL5124003 0.86 CTSK (0.45) CTSKCTSSCACNA1BRENCYP3A4
SCHEMBL5355126 0.85 MAPK14 (0.42) CTSKCTSSCACNA1BALDH1A1LMNA
SCHEMBL5123388 0.82 CTSK (0.47) CTSKCTSSREN
SCHEMBL5117020 0.81 CACNA1B (0.42) CTSKCTSSCACNA1BALDH1A1LMNA
SCHEMBL5344714 0.81 NPC1 (0.49) CTSKCACNA1BALDH1A1REN
SCHEMBL5110337 0.81 KMT2A (0.37) ALDH1A1LMNASRCPOLB
SCHEMBL5112745 0.81 CACNA1B (0.47) CTSKCTSSCACNA1BALDH1A1LMNA
SCHEMBL5351816 0.81 GRN (0.43) CTSKCTSSCACNA1BRENCYP3A4

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
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 CTSK 1082/4885CTSS 642/4885CACNA1B 3/4885

“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.