Sugi Predict

Sugi Predict / Compounds / SCHEMBL3524822

SCHEMBL3524822

SCHEMBL3524822

CCCCCCCCCCCCCCCc1cccc(OC(C)C)c1C1C(C(=O)OCC)=C(C)NC(=S)N1C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.46
▸ CACNA1F O60840 14/20 0.46
▸ CACNA1D Q01668 14/20 0.46
▸ CACNA1S Q13698 14/20 0.46
▸ CACNA1C Q13936 14/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL3525733 0.93 CACNA1F (0.54) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3521611 0.93 CACNA1F (0.54) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3527673 0.91 ALDH1A1 (0.48) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL489452 0.91 CACNA1F (0.52) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3524654 0.91 ATM (0.49) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6176901 0.84 PPARA (0.41) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6176961 0.84 PPARA (0.41) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3523427 0.84 CACNA1F (0.55) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3522629 0.84 CACNA1F (0.55) KIF11CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3521495 0.83 CACNA1F (0.54) KIF11CACNA1FCACNA1DCACNA1SCACNA1C

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-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 — — US claimed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 — — US claimed
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 — — EP claimed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 — — WO claimed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 — — US claimed
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 — — 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 (2 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 KIF11 4058/4885CACNA1F 17/4885CACNA1D 19/4885
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I KIF11 4373/4885CACNA1F 16/4885CACNA1D 29/4885

“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.