SCHEMBL27188331

SCHEMBL27188331

CCc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 1.00
CYP2C8 P10632 2/20 0.80
MAPT P10636 4/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
TP53 P04637 2/20 0.72
PTGS2 P35354 1/20 0.65
NR1I2 O75469 1/20 0.65
PPARD Q03181 1/20 0.65
PPARA Q07869 1/20 0.65

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
SCHEMBL27188277 0.89 PPARG (1.00) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188281 0.85 PPARG (1.00) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188270 0.85 PPARG (1.00) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188323 0.84 PPARG (0.84) PPARGCYP2C8MAPTSMN1; SMN2PTGS2
SCHEMBL27188335 0.84 PPARG (0.84) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188339 0.84 PPARG (0.84) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188299 0.83 PPARG (0.80) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188307 0.83 PPARG (0.82) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL27188305 0.81 PPARG (0.79) PPARGCYP2C8MAPTSMN1; SMN2TP53
SCHEMBL30782707 0.81 PPARG (1.00) PPARGCYP2C8MAPTPTGS2NR1I2

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-20240109850-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 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-20240109850-A1 Covalent PPARG inverse-agonists PPARG, PPARD, PPARA PPARG 1/4885CYP2C8 839/4885MAPT 4826/4885

“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.