SCHEMBL2961820

SCHEMBL2961820

CC(=O)N[C@H](C(=O)NCCNc1nsc2ccccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
GLS O94925 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
EPAS1 Q99814 2/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TACR1 P25103 1/20 0.38
TACR3 P29371 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2961825 1.00 CTSL (0.41) CTSLCTSSGLSMALT1EPAS1
SCHEMBL13202544 1.00 CTSL (0.41) CTSLCTSSGLSMALT1EPAS1
SCHEMBL2977282 0.91 CTSL (0.42) CTSLCTSSEPAS1TP53LMNA
SCHEMBL2966968 0.89 TACR3 (0.45) CTSLCTSSEPAS1TP53LMNA
SCHEMBL2975510 0.89 MEN1 (0.40) CTSLCTSSLMNAMEN1KMT2A
SCHEMBL2975504 0.89 MEN1 (0.40) CTSLCTSSLMNAMEN1KMT2A
SCHEMBL2966962 0.89 TACR3 (0.45) CTSLCTSSEPAS1TP53LMNA
SCHEMBL13220755 0.87 CTSL (0.40) CTSLCTSSEPAS1TP53LMNA
SCHEMBL2973091 0.86 TACR1 (0.45) CTSLCTSSEPAS1TP53LMNA
SCHEMBL2973095 0.86 TACR1 (0.45) CTSLCTSSEPAS1TP53LMNA

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 CTSL 1302/4885CTSS 439/4885GLS 740/4885

“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.