SCHEMBL7542557

SCHEMBL7542557

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HTRA1 Q92743 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ EBP Q15125 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ RHOC P08134 1/20 0.33
▸ RHOA P61586 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MEN1 O00255 3/20 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
SCHEMBL7538923 0.91 MAOB (0.41) MAOBHDAC1PPARGPPARAATM
SCHEMBL7538890 0.90 LTA4H (0.39) MAOBHDAC1CYP1A2CYP3A4CYP2C19
SCHEMBL7537800 0.90 MAOB (0.40) MAOBHDAC1PPARGPPARAATM
SCHEMBL7539911 0.85 ATM (0.40) MAOBCYP1A2CYP3A4CYP2C19PPARG
SCHEMBL7542555 0.85 MEN1 (0.43) MAOBHDAC1CYP1A2CYP3A4CYP2C19
SCHEMBL7542553 0.83 NR4A2 (0.43) MAOBPPARGPPARAATMHRH3
SCHEMBL7542604 0.81 PPARG (0.41) MAOBCYP1A2CYP3A4CYP2C19PPARG
SCHEMBL7535741 0.80 PPARG (0.44) MAOBCYP1A2CYP3A4CYP2C19PPARG
SCHEMBL7592175 0.79 PPARA (0.42) PPARGPPARAHDAC8UTS2R
SCHEMBL7535851 0.78 PPARG (0.44) CYP1A2CYP3A4CYP2C19PPARGPPARA

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 MAOB 476/4885HDAC1 2531/4885CYP1A2 635/4885

“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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