Sugi Predict

Sugi Predict / Compounds / SCHEMBL489187

SCHEMBL489187

SCHEMBL489187

CCCCCCCCCCCCCCCc1cccc(OC(C)C)c1C1C(C(=O)OC)=C(C)NC(=O)N1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 4/20 0.39
▸ CACNA1D Q01668 4/20 0.39
▸ CACNA1S Q13698 4/20 0.39
▸ CACNA1C Q13936 4/20 0.39
▸ PPARA Q07869 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ PDE1C Q14123 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL13436317 0.96 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL13436319 0.89 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL13436313 0.86 PPARA (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL13436314 0.86 CACNA1F (0.44) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL13436318 0.86 CACNA1F (0.42) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL13436315 0.83 CACNA1F (0.52) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL489534 0.83 NR1I2 (0.47) CACNA1FCACNA1DCACNA1SCACNA1CPPARA
SCHEMBL3525733 0.82 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL3521611 0.82 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CLMNA
SCHEMBL489218 0.82 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CPPARA

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-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 — — US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 — — US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 — — US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 — — US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 — — 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 CACNA1F 17/4885CACNA1D 19/4885CACNA1S 31/4885

“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.