SCHEMBL2968754

SCHEMBL2968754

O=S(=O)(NCCCNc1nsc2ccccc12)c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HTR7 P34969 13/20 0.42
DRD2 P14416 12/20 0.42
HTR2A P28223 12/20 0.42
HTR6 P50406 12/20 0.42
EPAS1 Q99814 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FABP4 P15090 1/20 0.39
HTR1A P08908 3/20 0.39
CXCR4 P61073 1/20 0.37
NPY5R Q15761 1/20 0.37
POLB P06746 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
SCHEMBL13202628 0.94 LMNA (0.43) LMNAHTR7DRD2HTR2AHTR6
SCHEMBL2976560 0.88 HTR7 (0.40) HTR7DRD2HTR2AHTR6EPAS1
SCHEMBL2966950 0.86 FABP4 (0.42) HTR7DRD2HTR2AHTR6EPAS1
SCHEMBL2977517 0.82 EPAS1 (0.42) HTR7DRD2HTR2AHTR6EPAS1
SCHEMBL2977361 0.80 HTR7 (0.43) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL2977442 0.79 EPAS1 (0.41) HTR7DRD2HTR2AHTR6EPAS1
SCHEMBL2962304 0.79 EPAS1 (0.39) HTR7DRD2HTR2AHTR6EPAS1
SCHEMBL2967287 0.79 EPHX2 (0.46) HTR7DRD2HTR2AHTR6HTR1A
SCHEMBL13220567 0.77 CA12 (0.55) LMNAHTR7DRD2HTR2AHTR6
SCHEMBL2965738 0.76 L3MBTL3 (0.55) EPAS1ALDH1A1

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 7 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
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 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-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS LMNA 4468/4885HTR7 3619/4885DRD2 4534/4885

“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.