SCHEMBL7542541

SCHEMBL7542541

CN(CCOc1ccc(CC(OCc2ccc(C(=O)OC(C)(C)C)cc2)C(=O)C(F)(F)F)cc1)C(C)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAOB P27338 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ UTS2R Q9UKP6 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ FDPS P14324 1/20 0.34
▸ EBP Q15125 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33

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
SCHEMBL7538938 0.91 NR4A2 (0.45) PPARGPPARAMAOBNPC1RAB9A
SCHEMBL7536484 0.90 NPC1 (0.40) PPARGPPARAATMMAOBNPC1
SCHEMBL7539911 0.90 ATM (0.40) PPARGPPARAATMMAOBNPC1
SCHEMBL7542536 0.86 MEN1 (0.43) PPARGPPARAATMMAOBNPC1
SCHEMBL7543264 0.85 UTS2R (0.38) ATMMAOBUTS2RCNR1MEN1
SCHEMBL7535741 0.84 PPARG (0.44) PPARGPPARAATMMAOBCNR1
SCHEMBL7564669 0.83 PPARG (0.45) PPARGPPARAATMMAOBCNR1
SCHEMBL7542604 0.81 PPARG (0.41) PPARGPPARAATMMAOBUTS2R
SCHEMBL7542553 0.80 NR4A2 (0.43) PPARGPPARAATMMAOBNPC1
SCHEMBL7542557 0.78 MAOB (0.35) PPARGPPARAATMMAOBUTS2R

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-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 — — US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 — — 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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 PPARG 1267/4885PPARA 759/4885ATM 4722/4885

“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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