Sugi Predict

Sugi Predict / Compounds / SCHEMBL5659310

SCHEMBL5659310

SCHEMBL5659310

CCOC(=O)C(Cc1ccc(NCCCn2ccc3ccccc32)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ CYP19A1 P11511 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40

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
SCHEMBL5658926 0.91 PPARG (0.48) MAPK1CYP1A2CYP3A4CYP2C19PPARG
SCHEMBL14526265 0.85 MAPK1 (0.45) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5661357 0.84 PPARG (0.42) PPARGPPARDPPARAMTNR1AMTNR1B
SCHEMBL5662474 0.83 MAPK1 (0.45) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5661825 0.83 MAPK1 (0.45) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5662336 0.82 MAPK1 (0.35) MAPK1CYP1A2CYP3A4CYP2C19TLR8
SCHEMBL14548460 0.82 CDK4 (0.41) MAPK1CYP1A2CYP3A4CYP2C19TLR8
Arginine SCHEMBL5662107 0.80 PPARG (0.38) MAPK1CYP1A2CYP3A4CYP2C19PPARG
SCHEMBL14548479 0.76 CDK4 (0.43) MAPK1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL5661240 0.76 PPARG (0.50) PPARGPPARDPPARA

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
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — US disclosed
US-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-26 — — 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-20070093476-A1 Novel compounds and their use in medicine,as antidiabetic and hypolipidemic agents, process for their preparation and pharmaceutical compositions containing them GPR119, NR1H3, NR1H2 MAPK1 1778/4885CYP1A2 1662/4885CYP3A4 385/4885

“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.