SCHEMBL2969760

SCHEMBL2969760

COc1ccc(-c2ccc(C(=O)NCCCNc3nsc4ccc(-c5cccc(OC)c5F)cc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
CFTR P13569 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TP53 P04637 1/20 0.40
DYRK1A Q13627 2/20 0.40
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
KCNA3 P22001 1/20 0.40
PTAFR P25105 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 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
SCHEMBL2972524 0.87 NPC1 (0.51) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2961761 0.86 NPC1 (0.52) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2979187 0.85 KMT2A (0.51) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2976877 0.85 NPC1 (0.45) CFTRPOLBMAPTKMT2ADGAT2
SCHEMBL2977501 0.84 NPC1 (0.49) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2968287 0.82 KMT2A (0.48) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2969940 0.82 NPC1 (0.47) CFTRPOLBMAPTKMT2ANPC1
SCHEMBL2977008 0.79 NPC1 (0.47) CFTRMAPTKMT2ANPC1RAB9A
SCHEMBL2977071 0.79 ALDH1A1 (0.53) FYNCFTRMAPTKMT2ARAB9A
SCHEMBL2967150 0.78 CFTR (0.44) CFTRPOLBMAPTKMT2ANPC1

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
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection RIGEL PHARMACEUTICALS, INC. (US) 2006-10-12 US 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 FYN 2239/4885HDAC6 255/4885CFTR 139/4885

“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.