SCHEMBL2968665

SCHEMBL2968665

COc1ccc(-c2ccc(C(=O)NCCCNc3nsc4c(S(=O)(=O)C(C)(C)C)cccc34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 3/20 0.43
CFTR P13569 2/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
PTAFR P25105 1/20 0.41
HPGD P15428 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
ROCK1 Q13464 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2976173 0.91 USP30 (0.42) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL2977401 0.85 KMT2A (0.48) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL2977008 0.85 NPC1 (0.47) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL13220751 0.85 NPC1 (0.47) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL2977913 0.80 KMT2A (0.46) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL2963433 0.79 KMT2A (0.43) NPC1RAB9AKMT2ACFTRPTAFR
SCHEMBL2961761 0.78 NPC1 (0.52) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL2972524 0.78 NPC1 (0.51) NPC1RAB9AKMT2ACFTRCDK4
SCHEMBL5321715 0.77 USP30 (0.41) NPC1RAB9AKMT2ACDK4CCND1
SCHEMBL2967022 0.77 TP53BP1 (0.40) RAB9A

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 8 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
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 NPC1 242/4885RAB9A 4073/4885KMT2A 2900/4885

“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.