SCHEMBL2970876

SCHEMBL2970876

COC(=O)C(N)CNc1nsc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 8/20 0.44
TP53 P04637 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SYK P43405 1/20 0.38
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACACB O00763 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2970060 0.77 CTSS (0.43) EPAS1
SCHEMBL3067515 0.72 MAPT (0.37) TP53SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL2975871 0.72 EPAS1 (0.39) EPAS1TP53MAPTACHELMNA
SCHEMBL2975877 0.72 EPAS1 (0.39) EPAS1TP53MAPTACHELMNA
SCHEMBL7085876 0.71 EPAS1 (0.46) EPAS1MAPTACHEKDM4EALDH1A1
SCHEMBL5406733 0.71 MAPT (0.51) SMN1; SMN2SYKMAPTALDH1A1LMNA
SCHEMBL5406742 0.71 MAPT (0.51) SMN1; SMN2SYKMAPTALDH1A1LMNA
Etisazole SCHEMBL2109479 0.71 EPAS1 (0.56) EPAS1TP53SMN1; SMN2MAPTACHE
Etisazole SCHEMBL30496100 0.71 EPAS1 (0.56) EPAS1TP53SMN1; SMN2MAPTACHE
SCHEMBL2977230 0.70 CYP2C19 (0.43) EPAS1TP53MAPTACHEALDH1A1

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 EPAS1 917/4885TP53 561/4885SMN1; SMN2 4300/4885

“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.