SCHEMBL4947575

SCHEMBL4947575

CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HSP90AA1 P07900 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNMA1 Q12791 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
PDE5A O76074 2/20 0.43
PDE9A O76083 2/20 0.43
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL14934104 0.91 MEN1 (0.41) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL7230617 0.90 HSP90AA1 (0.43) MAPTHSP90AA1MEN1CYP1A2CYP3A4
SCHEMBL21464105 0.84 DAO (0.52) MEN1KMT2A
SCHEMBL25275524 0.83 DAO (0.54) CYP1A2CYP3A4CYP2C19KCNMA1
SCHEMBL4950092 0.82 KCNQ3 (0.42) KMT2AKIF11
SCHEMBL640969 0.82 GABRG2 (0.48)
SCHEMBL4296595 0.82 CDK1 (0.46) MAPTPDE5APDE9A
SCHEMBL318223 0.82 LMNA (0.45) MEN1KMT2ACA12CA9
SCHEMBL14934065 0.81 MAOB (0.38) HSP90AA1ALDH1A1
SCHEMBL9388153 0.81 HSP90AA1 (0.60) MAPTHSP90AA1MEN1CYP1A2CYP3A4

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 1 patent. 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

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 MAPT 4720/4885HSP90AA1 1093/4885MEN1 4832/4885

“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.