Sugi Predict

Sugi Predict / Compounds / SCHEMBL6061966

SCHEMBL6061966

SCHEMBL6061966

CCCCCCCCCCCCCCCc1cccc(OC(C)C)c1C1C(CCOC)=C(C)NC(C(=O)OC)=C1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.39
▸ HIF1A Q16665 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ THPO P40225 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NR1I2 O75469 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL6060939 0.92 ADORA3 (0.41) CYP2C9HIF1AMEN1CYP1A2CYP3A4
SCHEMBL6061214 0.92 PPARA (0.41) CYP2C9HIF1AMEN1CYP1A2CYP3A4
SCHEMBL6061555 0.89 CYP1A2 (0.40) CYP2C9MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6060827 0.88 PPARA (0.39) CYP2C9HIF1AMEN1CYP1A2CYP3A4
SCHEMBL489544 0.85 MTOR (0.46) CYP2C9HIF1AMEN1CYP1A2CYP3A4
SCHEMBL489534 0.83 NR1I2 (0.47) CYP2C9HIF1AMEN1CYP1A2CYP3A4
SCHEMBL14471965 0.83 PTGS2 (0.37) CYP2C9MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL489261 0.78 KDM4E (0.42) CYP2C9MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL489551 0.78 ALDH1A1 (0.51) KDM4EMAPTHSD17B10ADORA3ALDH1A1
SCHEMBL489360 0.77 ALDH1A1 (0.50) KDM4EMAPTHSD17B10ADORA3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470108-B1 1,4-DIHYDROPYRIDINE AND PYRIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2016-08-24 — — EP claimed
US-20060058355-A1 Method of treatment of cardiac and/or renal failure using a calcium channel blocker and an angiotensin converting enzyme inhibitor or an angiotensin II receptor blocker DITTRICH HOWARD C 2006-03-16 — — US claimed
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels Knobbe, Martens, Olson & Bear, LLP 2004-01-08 — — US claimed

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-20060058355-A1 Method of treatment of cardiac and/or renal failure using a calcium channel blocker and an angiotensin converting enzyme inhibitor or an angiotensin II receptor blocker ACE, AGTR2, REN CYP2C9 868/4885HIF1A 2967/4885MEN1 4020/4885
US-20040006110-A1 To modulate the activity of calcium channels, therapy of cardiovascular disease or neurological disorders, that are associated with calcium channels RYR2, ORAI1, RYR1 CYP2C9 4051/4885HIF1A 1518/4885MEN1 3029/4885

“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.