SCHEMBL2977382

SCHEMBL2977382

COC(=O)c1ccc(-c2ccc(S(=O)(=O)NCCCNc3nsc4ccccc34)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
HTR7 P34969 4/20 0.42
HTR6 P50406 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
HTR1A P08908 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL2977843 0.87 ALDH1A1 (0.52) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL2965708 0.84 ALDH1A1 (0.55) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL2977095 0.84 HTT (0.44) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL2971035 0.83 DRD2 (0.60) DRD2HTR2AHTR7HTR6HTR1A
SCHEMBL2972977 0.81 DRD2 (0.42) DRD2HTR2AHTR7HTR6MAPT
SCHEMBL2976146 0.81 CA9 (0.44) DRD2HTR2AHTR7HTR6MEN1
SCHEMBL2969702 0.80 DRD2 (0.46) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL2973868 0.79 HTT (0.53) ALDH1A1MAPTNPSR1LMNAMEN1
SCHEMBL13202654 0.79 LMNA (0.48) DRD2HTR2AHTR7HTR6ALDH1A1
SCHEMBL13220566 0.79 ALDH1A1 (0.48) DRD2HTR2AHTR7HTR6ALDH1A1

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 DRD2 4534/4885HTR2A 4571/4885HTR7 3619/4885

“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.