SCHEMBL29928643

SCHEMBL29928643

CC[C@@H](NC(=O)c1ccc2c(c1)ncn2Cc1ncc(F)cc1F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00

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
SCHEMBL8036243 1.00 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4539264 0.87 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4530943 0.85 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22987224 0.84 PPARG (0.74) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22987227 0.84 PPARG (0.74) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8023621 0.84 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4539858 0.84 PPARG (0.89) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4540831 0.84 PPARG (0.85) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4534887 0.83 PPARG (0.98) PPARGCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4542949 0.82 PPARG (1.00) PPARGCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447445-B2 Diabetes and metabolic syndrome treatment with a novel dual modulator of soluble epoxide hydrolase and peroxisome proliferator-activated receptors THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2022-09-20 — — 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-11447445-B2 Diabetes and metabolic syndrome treatment with a novel dual modulator of soluble epoxide hydrolase and peroxisome proliferator-activated receptors EPHX1, EPHX2, PPARG PPARG 3/4885CYP1A2 434/4885CYP3A4 393/4885

“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.

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