SCHEMBL2979062

SCHEMBL2979062

CN(CCCN(C)S(=O)(=O)c1ccccc1C(F)(F)F)c1nsc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
BDKRB1 P46663 1/20 0.37
RAB9A P51151 1/20 0.35
HTR6 P50406 3/20 0.35
HTR1A P08908 3/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HTR7 P34969 2/20 0.35
HSD11B1 P28845 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KCNA3 P22001 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL2979748 0.84 EPHX2 (0.39) BDKRB1RAB9AHTR6HTR1ADRD2
SCHEMBL3994492 0.74 RAB9A (0.47) BDKRB1RAB9AHSD11B1DPP4DPP8
SCHEMBL2979142 0.74 NFE2L2 (0.43) GBA1
SCHEMBL6276147 0.73 RAB9A (0.45) BDKRB1RAB9AHSD11B1DPP4DPP8
SCHEMBL5216082 0.69 BDKRB1 (0.43) BDKRB1RAB9AHSD11B1MEN1KMT2A
SCHEMBL2975620 0.69 NR1H2 (0.43) RAB9AMEN1KMT2APTGDR2NR1H2
SCHEMBL4027806 0.69 SLC22A12 (0.42) BDKRB1RAB9AHSD11B1DPP4DPP8
SCHEMBL27642658 0.67 MEN1 (0.51) RAB9AHSD11B1DPP4DPP8DPP9
SCHEMBL11888733 0.66 RAB9A (0.62) BDKRB1RAB9AHSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL28351640 0.65 MEN1 (0.50) RAB9AHSD11B1DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776847-B2 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP disclosed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS GBA1 484/4885BDKRB1 1809/4885RAB9A 4073/4885

“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.