SCHEMBL5118885

SCHEMBL5118885

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
CACNA1B Q00975 1/20 0.41
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
MCL1 Q07820 1/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
ACKR3 P25106 1/20 0.33
HTRA1 Q92743 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
SCHEMBL5754129 0.85 ATM (0.37) ATMCACNA1BKMT2AHSD17B10CTSS
SCHEMBL5350467 0.83 CACNA1B (0.49) ATMCACNA1BKMT2ACTSSSMN1; SMN2
SCHEMBL5345749 0.83 CACNA1B (0.49) ATMCACNA1BKMT2ACTSSSMN1; SMN2
SCHEMBL5345730 0.83 CACNA1B (0.49) ATMCACNA1BKMT2ACTSSSMN1; SMN2
SCHEMBL5349400 0.83 CACNA1B (0.49) ATMCACNA1BKMT2ACTSSSMN1; SMN2
SCHEMBL5123633 0.83 CACNA1B (0.43) ATMCACNA1BKMT2AHSD17B10MEN1
SCHEMBL5112745 0.83 CACNA1B (0.47) ATMCACNA1BKMT2AHSD17B10CTSS
SCHEMBL5116993 0.83 CACNA1B (0.41) ATMCACNA1BKMT2AHSD17B10CTSS
SCHEMBL5355207 0.82 CACNA1B (0.49) ATMCACNA1BKMT2AHSD17B10CTSS
SCHEMBL5110973 0.82 CACNA1B (0.46) ATMCACNA1BHSD17B10MCL1ACKR3

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 4 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-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 ATM 2618/4885CACNA1B 3/4885KMT2A 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.