SCHEMBL27188273

SCHEMBL27188273

CCc1ccc(-c2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 1.00
▸ CYP2C8 P10632 2/20 0.64
▸ PTGES O14684 1/20 0.52
▸ PPARA Q07869 2/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ RORC P51449 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PKM P14618 1/20 0.48

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
SCHEMBL27188276 0.93 PPARG (1.00) PPARGCYP2C8PTGESPPARANR1I2
SCHEMBL7131095 0.81 PPARG (0.70) PPARGCYP2C8PPARACYP3A4MAPK1
SCHEMBL27188360 0.79 PPARG (0.63) PPARGPTGESRORC
SCHEMBL31720948 0.79 PPARG (0.64) PPARGMAPK1MEN1TP53MAPT
SCHEMBL27188277 0.78 PPARG (1.00) PPARGCYP2C8PPARANR1I2PPARD
SCHEMBL29113778 0.78 KMT2A (0.74) PPARGCYP2C8PPARACYP3A4MAPK1
SCHEMBL14840973 0.75 PPARG (0.78) PPARGCYP2C8PPARANR1I2PPARD
SCHEMBL7128796 0.74 PPARG (0.70) PPARGCYP2C8PPARACYP3A4MAPK1
SCHEMBL7121705 0.73 RORC (0.80) PPARGPPARACYP3A4MAPK1SMN1; SMN2
SCHEMBL7118637 0.73 KMT2A (0.58) PPARGCYP2C8PPARACYP3A4MAPK1

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 839/4885PTGES 182/4885

“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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