SCHEMBL9258487

SCHEMBL9258487

CC(C)c1cc(F)cc(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
MET P08581 2/20 0.34
CTSA P10619 9/20 0.33
PDK2 Q15119 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PTPN5 P54829 3/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12945561 0.79 LMNA (0.40) METCTSA
SCHEMBL9258465 0.78 HSD11B1 (0.40) TRPA1PDK2AKR1C3AKR1C2PTPN5
SCHEMBL9289342 0.75 GRM5 (0.43) TRPA1METCTSA
SCHEMBL9261126 0.75 TRPA1 (0.45) TRPA1PDK2PTPN5
SCHEMBL27405271 0.74 RXRA (0.42) METAKR1C3AKR1C2PTPN5TSHR
SCHEMBL9260957 0.73 AKR1C3 (0.55) PDK2AKR1C3AKR1C2ALDH1A1TSHR
SCHEMBL9260944 0.73 AKR1C3 (0.42) TRPA1PDK2AKR1C3AKR1C2PTPN5
SCHEMBL9262993 0.73 TRPA1 (0.43) TRPA1AKR1C3AKR1C2PTPN5PTPN1
SCHEMBL24721027 0.72 AKR1C2 (0.41) AKR1C3AKR1C2PTPN5TSHR
SCHEMBL21652195 0.72 PTGS2 (0.47) TRPA1PDK2ALDH1A1TSHRTDP1

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 TRPA1 3202/4885MET 2961/4885CTSA 1122/4885

“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.