SCHEMBL5117831

SCHEMBL5117831

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.37
CACNA1B Q00975 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKAA2 P54646 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
POLB P06746 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
SCHEMBL5113479 0.92 EPHX2 (0.46) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL5118118 0.90 MC4R (0.40) MC4RMC5RATMCACNA1BPRKAA2
SCHEMBL5754129 0.85 ATM (0.37) MC4RMC5RKMT2AMEN1ATM
SCHEMBL5117829 0.85 CACNA1B (0.47) EPHX2MC4RMC5RABL1RIN1
SCHEMBL5114278 0.84 EPHX2 (0.47) EPHX2ABL1RIN1KMT2AMEN1
SCHEMBL5757618 0.84 CACNA1B (0.41) KMT2AMEN1ATMCACNA1BHSD17B10
SCHEMBL4564775 0.84 CYP2C19 (0.44) KMT2AMEN1ATMCACNA1BLMNA
SCHEMBL5123437 0.84 CYP2C19 (0.44) KMT2AMEN1ATMCACNA1BLMNA
SCHEMBL5124757 0.84 CYP2C19 (0.44) KMT2AMEN1ATMCACNA1BLMNA
SCHEMBL5123449 0.84 CYP2C19 (0.44) KMT2AMEN1ATMCACNA1BLMNA

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 5 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

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 EPHX2 2908/4885MC4R 3160/4885MC5R 2611/4885

“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.