SCHEMBL2977913

SCHEMBL2977913

COc1ccc(-c2ccc(C(=O)NCCCNc3nsc4cccc(S(N)(=O)=O)c34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
CA7 P43166 1/20 0.43
PTAFR P25105 1/20 0.43
CDK2 P24941 1/20 0.42
IKBKE Q14164 1/20 0.42
AURKB Q96GD4 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CFTR P13569 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CDK4 P11802 1/20 0.40
CCND1 P24385 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
SCHEMBL2963433 0.90 KMT2A (0.43) KMT2ANPC1RAB9APTAFRCDK2
SCHEMBL2976016 0.86 KMT2A (0.51) KMT2ANPC1RAB9APTAFREGLN1
SCHEMBL2970288 0.84 KMT2A (0.46) KMT2ANPC1RAB9APTAFREGLN1
SCHEMBL2966579 0.81 CA2 (0.47) KMT2ANPC1RAB9ACA1CA2
SCHEMBL2968665 0.80 NPC1 (0.44) KMT2ANPC1RAB9APTAFRCDK2
SCHEMBL2961761 0.79 NPC1 (0.52) KMT2ANPC1RAB9APTAFRCFTR
SCHEMBL2972524 0.78 NPC1 (0.51) KMT2ANPC1RAB9APTAFRCFTR
SCHEMBL2976173 0.78 USP30 (0.42) KMT2ANPC1RAB9APTAFRCFTR
SCHEMBL2979187 0.77 KMT2A (0.51) KMT2ANPC1RAB9APTAFRCDK2
SCHEMBL2977071 0.77 ALDH1A1 (0.53) KMT2ARAB9APTAFRCFTRHPGD

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 9 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
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 KMT2A 2900/4885NPC1 242/4885RAB9A 4073/4885

“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.