SCHEMBL2962622

SCHEMBL2962622

CC(C)(C)OC(=O)COc1ccc(C(=O)NCCCNc2nsc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.43
KMT2A Q03164 1/20 0.42
KCNA3 P22001 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL13202673 0.94 MAPT (0.44) TP53MAPTKCNA3NPC1RAB9A
SCHEMBL2975993 0.87 KCNA3 (0.50) TP53MAPTKMT2AKCNA3NPC1
SCHEMBL2966697 0.80 NPC1 (0.55) TP53MAPTKMT2ANPC1RAB9A
SCHEMBL2979156 0.80 HDAC3 (0.46) TP53MAPTKMT2AKCNA3
SCHEMBL2963804 0.79 TP53 (0.53) TP53MAPTKMT2ANPC1RAB9A
SCHEMBL2969593 0.78 NPC1 (0.53) TP53MAPTKMT2ANPC1RAB9A
SCHEMBL2977850 0.78 MEN1 (0.55) TP53MAPTKMT2AKCNA3HTR1A
SCHEMBL2962211 0.78 TP53 (0.51) TP53MAPTKCNA3HTR1ADRD2
SCHEMBL13220742 0.78 TP53 (0.51) TP53MAPTKCNA3HTR1ADRD2
SCHEMBL2977960 0.78 KCNA3 (0.64) TP53MAPTKMT2AKCNA3NPC1

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 5 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-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 TP53 561/4885MAPT 2483/4885KMT2A 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.