Sugi Predict

Sugi Predict / Compounds / SCHEMBL5117026

SCHEMBL5117026

SCHEMBL5117026

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)Nc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.40
▸ ATM Q13315 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PDE7A Q13946 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL5117013 0.85 CACNA1B (0.51) ENPP2ATMHRH3CACNA1BMAPK1
SCHEMBL5113513 0.85 HRH3 (0.45) ENPP2HRH3LMNAALDH1A1MAPK1
SCHEMBL5113491 0.84 ATM (0.39) ATMCACNA1BSMN1; SMN2
SCHEMBL5110234 0.84 CTSL (0.40) ATMHRH3CACNA1BLMNAALDH1A1
SCHEMBL5118118 0.84 MC4R (0.40) ATMCACNA1BSMN1; SMN2
SCHEMBL4564775 0.83 CYP2C19 (0.44) ATMCACNA1BLMNAALDH1A1MAPK1
SCHEMBL5123449 0.83 CYP2C19 (0.44) ATMCACNA1BLMNAALDH1A1MAPK1
SCHEMBL5124757 0.83 CYP2C19 (0.44) ATMCACNA1BLMNAALDH1A1MAPK1
SCHEMBL5123437 0.83 CYP2C19 (0.44) ATMCACNA1BLMNAALDH1A1MAPK1
SCHEMBL5124110 0.83 CYP2C19 (0.44) ATMCACNA1BLMNAALDH1A1MAPK1

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
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 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 ENPP2 797/4885ATM 2618/4885HRH3 1396/4885

“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.