SCHEMBL2963490

SCHEMBL2963490

CC(C)(C)NS(=O)(=O)c1cccc2c(NCCCN)nsc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.43
CYP3A4 P08684 7/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2C9 P11712 5/20 0.37
CYP2C19 P33261 5/20 0.37
SCN1A P35498 3/20 0.37
SCN2A Q99250 3/20 0.37
SCN3A Q9NY46 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 5/20 0.36
CYP2D6 P10635 4/20 0.36
MAPK1 P28482 3/20 0.36
THPO P40225 3/20 0.36
NFKB1 P19838 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PMP22 Q01453 3/20 0.36
NPSR1 Q6W5P4 3/20 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
SCHEMBL2969950 0.82 NSD2 (0.38) NSD2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2967022 0.79 TP53BP1 (0.40) NSD2ALDH1A1TP53NPSR1MAPT
SCHEMBL2971174 0.76 KDM4E (0.38) CYP3A4CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2976173 0.76 USP30 (0.42) CYP3A4CYP2C9TP53CYP2D6MEN1
SCHEMBL2978850 0.74 NSD2 (0.49) NSD2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL6108893 0.68 EPAS1 (0.50) ALDH1A1KDM4EHSD17B10MAPTSYK
SCHEMBL13203007 0.65 SYK (0.50) SYK
SCHEMBL5241227 0.64 NSD2 (0.49) NSD2ALDH1A1KDM4EMAPK1MEN1
SCHEMBL2968069 0.63 TP53BP1 (0.40) ALDH1A1TP53MEN1KMT2ANPSR1
SCHEMBL21878809 0.62 NSD2 (1.00) NSD2

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 33 patents — showing the first 20. 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-7776867-B2 Furanopyrimidines AMGEN 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-7605144-B2 Enzyme catalyzed therapeutic compounds CELMED ONCOLOGY (USA), INC. (CA) 2009-10-20 US disclosed
EP-1200455-B1 ENZYME CATALYZED THERAPEUTIC ACTIVATION CELMED ONCOLOGY USA INC (CA) 2009-04-22 EP disclosed
US-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE CELMED ONCOLOGY (USA), INC. 2009-03-12 US disclosed
US-7462605-B2 Phosphoramidate compounds and methods of use CELMED ONCOLOGY (USA), INC. (CA) 2008-12-09 US disclosed
US-7419968-B1 Methods for treating therapy-resistant tumors CELMED ONCOLOGY (USA), INC. (CA) 2008-09-02 US disclosed
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. (CA) 2002-10-17 US disclosed
US-20020147175-A1 Synergistic ECTA compositions NEWBIOTICS, INC. 2002-10-10 US disclosed
WO-2002056832-A2 METHODS TO TREAT AUTOIMMUNE AND INFLAMMATORY CONDITIONS NEWBIOTICS, INC. (US) 2002-07-25 WO disclosed
WO-2002039952-A2 SYNERGISTIC ECTA COMPOSITIONS NEWBIOTICS, INC. (US) 2002-05-23 WO disclosed
EP-1202749-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS Newbiotics, Inc. (US) 2002-05-08 EP disclosed
EP-1200130-A2 METHODS FOR TREATING THERAPY-RESISTANT TUMORS Newbiotics, Inc. (US) 2002-05-02 EP disclosed
EP-1200455-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION Newbiotics Inc. (US) 2002-05-02 EP disclosed
WO-2001007087-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
WO-2001007454-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
WO-2001007088-A2 METHODS FOR TREATING THERAPY-RESISTANT TUMORS NEWBIOTICS, INC. (US) 2001-02-01 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 (4 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-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE MTAP, TYMP, INPP5D NSD2 2454/4885CYP3A4 4162/4885CYP1A2 4837/4885
US-20020147175-A1 Synergistic ECTA compositions ENTPD1, ENTPD2, ENPP1 NSD2 4517/4885CYP3A4 4847/4885CYP1A2 4243/4885
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions SSB, ENPP2, TPMT NSD2 3990/4885CYP3A4 3415/4885CYP1A2 2232/4885
US-20060229294-A1 Benzisothiazoles useful for treating or preventing HCV infection HAVCR2, ZC3HAV1, MAVS NSD2 1687/4885CYP3A4 708/4885CYP1A2 862/4885

“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.