SCHEMBL27188317

SCHEMBL27188317

O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.79
CYP2C8 P10632 1/20 0.67
PTGS2 P35354 2/20 0.65
MAPT P10636 5/20 0.64
TP53 P04637 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
THRB P10828 1/20 0.58

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
SCHEMBL27188332 0.93 PPARG (0.85) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188685 0.92 PPARG (0.78) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188686 0.89 PPARG (0.79) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188266 0.88 PPARG (1.00) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188292 0.88 PPARG (1.00) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188326 0.88 PPARG (0.81) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188290 0.88 PPARG (0.85) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188334 0.86 PPARG (0.76) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL27188323 0.86 PPARG (0.84) PPARGCYP2C8PTGS2MAPTSMN1; SMN2
SCHEMBL27188270 0.85 PPARG (1.00) PPARGCYP2C8PTGS2MAPTTP53

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 839/4885PTGS2 499/4885

“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.