SCHEMBL5116993

SCHEMBL5116993

COc1ccc(NNC(=S)[C@@H](CCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.41
ATM Q13315 2/20 0.40
CTSL P07711 3/20 0.39
CTSS P25774 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
KLK7 P49862 1/20 0.35
SRC P12931 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CTSK P43235 1/20 0.35
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5345730 0.89 CACNA1B (0.49) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5350467 0.89 CACNA1B (0.49) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5345749 0.89 CACNA1B (0.49) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5349400 0.89 CACNA1B (0.49) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5355207 0.84 CACNA1B (0.49) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5117860 0.84 SIGMAR1 (0.41) CACNA1BATMKMT2AMEN1ALDH1A1
SCHEMBL5116987 0.84 CACNA1B (0.54) CACNA1BATMCTSLCTSSKMT2A
SCHEMBL5113479 0.84 EPHX2 (0.46) CACNA1BATMKMT2AMEN1ALDH1A1
SCHEMBL5118005 0.84 ACHE (0.42) CACNA1BATMKMT2AMEN1ALDH1A1
SCHEMBL5118885 0.83 ATM (0.44) CACNA1BATMCTSLCTSSKMT2A

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 CACNA1B 3/4885ATM 2618/4885CTSL 1220/4885

“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.