SCHEMBL27188271

SCHEMBL27188271

CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 1.00
▸ CYP2C8 P10632 2/20 0.72
▸ PTGS2 P35354 2/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ PPARD Q03181 1/20 0.72
▸ PPARA Q07869 1/20 0.72
▸ MAPT P10636 6/20 0.68
▸ POLB P06746 2/20 0.68
▸ TP53 P04637 5/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ MMP2 P08253 1/20 0.60
▸ MMP9 P14780 1/20 0.60
▸ MMP8 P22894 1/20 0.60
▸ MMP13 P45452 1/20 0.60
▸ NPC1 O15118 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NPSR1 Q6W5P4 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
SCHEMBL27188277 0.84 PPARG (1.00) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188282 0.84 PPARG (1.00) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188269 0.84 PPARG (1.00) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL27188285 0.84 PPARG (1.00) PPARGCYP2C8PTGS2NR1I2PPARD
SCHEMBL19428453 0.83 MAPT (0.76) PPARGPTGS2MAPTPOLBTP53
SCHEMBL27188280 0.80 PPARG (1.00) PPARGCYP2C8NR1I2PPARDPPARA
SCHEMBL25989653 0.80 RAB9A (0.70) PPARGCYP2C8NR1I2PPARDPPARA
SCHEMBL27188316 0.79 PPARG (0.77) PPARGMAPTPOLBTP53SMN1; SMN2
SCHEMBL12113011 0.77 TP53 (0.70) PPARGPTGS2MAPTPOLBTP53
SCHEMBL27188331 0.77 PPARG (1.00) 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 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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