SCHEMBL2977843

SCHEMBL2977843

COc1ccc(-c2ccc(S(=O)(=O)NCCCNc3nsc4ccccc34)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
PKM P14618 1/20 0.52
EPAS1 Q99814 3/20 0.49
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
MMP3 P08254 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX5 P09917 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL2965708 0.97 ALDH1A1 (0.55) ALDH1A1PKMEPAS1USP2POLB
SCHEMBL3058234 0.91 EPAS1 (0.54) ALDH1A1PKMEPAS1USP2POLB
SCHEMBL2977095 0.88 HTT (0.44) ALDH1A1MEN1KMT2A
SCHEMBL2971035 0.88 DRD2 (0.60) DRD2HTR2AHTR7HTR6MMP3
SCHEMBL2977382 0.87 DRD2 (0.42) ALDH1A1USP2POLBDRD2HTR2A
SCHEMBL2969580 0.87 EPAS1 (0.53) EPAS1DRD2HTR2AHTR7HTR6
SCHEMBL2979390 0.84 DRD2 (0.47) ALDH1A1DRD2HTR2AHTR7HTR6
SCHEMBL2972977 0.84 DRD2 (0.42) DRD2HTR2AHTR7HTR6KMT2A
SCHEMBL2973868 0.84 HTT (0.53) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2965738 0.83 L3MBTL3 (0.55) ALDH1A1EPAS1SMN1; SMN2

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 ALDH1A1 227/4885PKM 2696/4885EPAS1 917/4885

“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.