SCHEMBL27188274

SCHEMBL27188274

Cc1cncc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 14/20 1.00
▸ CYP2C8 P10632 2/20 0.73
▸ PTGS2 P35354 2/20 0.71
▸ MAPT P10636 3/20 0.61
▸ NR1I2 O75469 1/20 0.58
▸ PPARD Q03181 1/20 0.58
▸ PPARA Q07869 1/20 0.58
▸ MMP2 P08253 1/20 0.56
▸ MMP9 P14780 1/20 0.56
▸ MMP8 P22894 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ TP53 P04637 1/20 0.56

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
SCHEMBL30782708 1.00 PPARG (1.00) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188336 0.92 PPARG (0.85) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188281 0.90 PPARG (1.00) PPARGCYP2C8PTGS2MAPTTP53
SCHEMBL29612205 0.86 PPARG (0.83) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188338 0.86 PPARG (0.82) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188323 0.86 PPARG (0.84) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188341 0.85 PPARG (0.79) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188307 0.85 PPARG (0.82) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188321 0.85 PPARG (0.79) PPARGCYP2C8PTGS2MAPTNR1I2
SCHEMBL27188315 0.85 PPARG (0.79) PPARGCYP2C8PTGS2MAPTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109850-A1 Covalent PPARG inverse-agonists BAYER AKTIENGESELLSCHAFT (DE) 2024-04-04 — — US claimed
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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