SCHEMBL9257716

SCHEMBL9257716

CC(C)(C)c1ccccc1-c1cc(Cl)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
PDK2 Q15119 2/20 0.39
S100A4 P26447 1/20 0.39
CHRM1 P11229 4/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37

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
SCHEMBL9258401 0.84 PTPN1 (0.42) HSD11B1PDK2S100A4ALDH1A1TSHR
SCHEMBL9258380 0.80 HSD11B1 (0.49) HSD11B1PDK2S100A4ALDH1A1TSHR
SCHEMBL20898552 0.78 HSD11B1 (0.49) HSD11B1PDK2S100A4CHRM1GABRP
SCHEMBL31067119 0.78 HSD11B1 (0.49) HSD11B1PDK2S100A4CHRM1GABRP
SCHEMBL9261586 0.78 ALDH1A1 (0.43) LMNAALDH1A1TSHRTDP1
SCHEMBL9260944 0.78 AKR1C3 (0.42) PDK2LMNAALDH1A1TSHRTDP1
SCHEMBL12618386 0.76 CYP3A4 (0.44) HSD11B1PDK2S100A4GABRPGABRD
SCHEMBL9262835 0.76 PTGS2 (0.54) CHRM1
SCHEMBL1194484 0.76 ALDH1A1 (0.55) HSD11B1GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8816011 0.76 HSD11B1 (0.47) HSD11B1S100A4CHRM1GABRPGABRD

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US disclosed
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 702/4885PDK2 4082/4885S100A4 732/4885

“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.