SCHEMBL27188359

SCHEMBL27188359

O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 0.79
▸ CYP2C8 P10632 2/20 0.79
▸ PTGS2 P35354 2/20 0.74
▸ NR1I2 O75469 1/20 0.63
▸ PPARD Q03181 1/20 0.63
▸ PPARA Q07869 1/20 0.63
▸ MAPT P10636 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62

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
SCHEMBL27188338 0.93 PPARG (0.82) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188307 0.91 PPARG (0.82) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188321 0.91 PPARG (0.79) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188315 0.91 PPARG (0.79) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188323 0.91 PPARG (0.84) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188339 0.90 PPARG (0.84) PPARGCYP2C8PTGS2MAPTKDM4E
SCHEMBL27188341 0.89 PPARG (0.79) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188667 0.88 PPARG (0.78) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188288 0.88 PPARG (0.78) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188329 0.88 PPARG (0.71) PPARGCYP2C8PTGS2NR1I2PPARD

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.

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