SCHEMBL4948766

SCHEMBL4948766

CC(C)(C)OC(=O)n1c(=O)[nH]c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
LIPE Q05469 1/20 0.39
DDR1 Q08345 2/20 0.38
OPRM1 P35372 2/20 0.38
KIF11 P52732 1/20 0.37
MAOB P27338 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
B3GNT2 Q9NY97 2/20 0.37
TGM2 P21980 1/20 0.36

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
SCHEMBL4950092 0.90 KCNQ3 (0.42) KCNQ3KCNQ2KDM4ECRHBPCRHR2
SCHEMBL7230617 0.82 HSP90AA1 (0.43) KDM4EKMT2AKIF11MAOBB3GNT2
SCHEMBL14934065 0.81 MAOB (0.38) KDM4EMAOBB3GNT2
SCHEMBL319785 0.80 DAO (0.52) B3GNT2
SCHEMBL31709866 0.80 AKT2 (0.44) OPRM1B3GNT2
SCHEMBL7436018 0.79 B3GNT2 (0.47) KDM4EGAAKMT2AKIF11B3GNT2
SCHEMBL605123 0.79 OPRM1 (0.54) LIPEOPRM1GPR119
SCHEMBL2256797 0.76 DAO (0.47) KMT2A
SCHEMBL28467050 0.76 CA12 (0.45) KDM4ECRHBPCRHR2GAAKMT2A
SCHEMBL30327184 0.76 CA12 (0.45) KDM4ECRHBPCRHR2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
US-20080076810-A1 Benzoureas Having Anti-Diabetic Activity MERCK SHARP & DOHME CORP. 2008-03-27 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-20080076810-A1 Benzoureas Having Anti-Diabetic Activity PPARD, PPARG, GPR119 KCNQ3 2625/4885KCNQ2 1714/4885KDM4E 1266/4885

“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.