SCHEMBL9258465

SCHEMBL9258465

CC(C)(C)c1ccccc1-c1cc(F)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
TRPA1 O75762 1/20 0.39
BRD4 O60885 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
CHRM3 P20309 3/20 0.36
PTPN5 P54829 1/20 0.36
PGR P06401 3/20 0.35
PDK2 Q15119 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAP4K4 O95819 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
SCHEMBL9263223 0.81 HSD11B1 (0.41) HSD11B1TRPA1CNR1CNR2PTPN5
SCHEMBL9258487 0.78 TRPA1 (0.38) TRPA1AKR1C3AKR1C2PTPN5PDK2
SCHEMBL9261126 0.77 TRPA1 (0.45) TRPA1PTPN5PDK2
SCHEMBL9258898 0.77 TRPA1 (0.45) TRPA1CHRM3PTPN5PGRPDK2
SCHEMBL26204709 0.77 CYP2A6 (0.45) CNR1CNR2CHRM3PGRALDH1A1
SCHEMBL31067126 0.77 PTPRC (0.42) HSD11B1TRPA1AKR1C3AKR1C2CHRM3
SCHEMBL28488092 0.77 PTPRC (0.42) HSD11B1TRPA1AKR1C3AKR1C2CHRM3
SCHEMBL9262835 0.77 PTGS2 (0.54) TRPA1BRD4
SCHEMBL21652229 0.75 AHR (0.44) HSD11B1TRPA1PTPN5PDK2ALDH1A1
SCHEMBL9262993 0.75 TRPA1 (0.43) HSD11B1TRPA1AKR1C3AKR1C2PTPN5

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP HSD11B1 702/4885TRPA1 3202/4885BRD4 342/4885

“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.