SCHEMBL2977442

SCHEMBL2977442

O=S(=O)(NCCCNc1nsc2ccccc12)c1ccc(Br)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.41
HTR7 P34969 14/20 0.41
HTR2A P28223 13/20 0.41
HTR6 P50406 13/20 0.41
DRD2 P14416 12/20 0.41
FABP4 P15090 1/20 0.38
HTR1A P08908 3/20 0.38
IKBKB O14920 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
SCHEMBL2963869 0.89 EPAS1 (0.45) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2962304 0.85 EPAS1 (0.39) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2968422 0.82 EPAS1 (0.49) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL6111296 0.80 HTR2A (0.43) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2976560 0.80 HTR7 (0.40) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2968754 0.79 LMNA (0.42) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2966950 0.78 FABP4 (0.42) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2967891 0.77 EPAS1 (0.39) EPAS1HTR7HTR2AHTR6DRD2
SCHEMBL2967232 0.77 SMN1; SMN2 (0.49) HTR7HTR2AHTR6DRD2
SCHEMBL13220567 0.76 CA12 (0.55) EPAS1HTR7HTR2AHTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853573-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION Rigel Pharmaceuticals, Inc. (US) 2007-11-14 EP claimed
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US claimed
WO-2006091858-A1 BENZISOTHIAZOLES USEFUL FOR TREATING OR PREVENTING HCV INFECTION RIGEL PHARMACEUTICALS, INC. (US) 2006-08-31 WO 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
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 EPAS1 917/4885HTR7 3619/4885HTR2A 4571/4885

“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.