SCHEMBL5022960

SCHEMBL5022960

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc3ccc(NS(C)(=O)=O)cc3s2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 2/20 0.42
DCLK1 O15075 1/20 0.41
FES P07332 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
MAP4K2 Q12851 1/20 0.41
NTRK3 Q16288 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
STK17A Q9UEE5 1/20 0.41
MAP4K5 Q9Y4K4 1/20 0.41
CSNK1G3 Q9Y6M4 1/20 0.41

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
SCHEMBL14365370 0.92 DCLK1 (0.42) KDM4ERXFP1GAANPSR1HSD17B10
SCHEMBL14228297 0.92 HSD17B10 (0.41) KDM4ERXFP1GAANPSR1HSD17B10
SCHEMBL5016928 0.91 HSD17B10 (0.42) KDM4EGAANPSR1HSD17B10GSK3A
SCHEMBL5022970 0.90 GPR27 (0.44) KDM4ERXFP1GAANPSR1FLT1
SCHEMBL5016991 0.89 PPARG (0.40) KDM4ERXFP1GAANPSR1DCLK1
SCHEMBL5023120 0.88 LMNA (0.40) KDM4EFLT1FLT4KDRMEN1
SCHEMBL5017118 0.88 NTRK1 (0.39) KDM4ERXFP1GAANPSR1HSD17B10
SCHEMBL5016977 0.85 DCLK1 (0.42) KDM4ERXFP1GAANPSR1HSD17B10
SCHEMBL5027178 0.84 KDM4E (0.40) KDM4ERXFP1GAANPSR1HSD17B10
SCHEMBL5023546 0.83 KDM4E (0.51) KDM4EGAANPSR1HSD17B10MEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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 (2 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KDM4E 2073/4885RXFP1 92/4885GAA 3396/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 KDM4E 1919/4885RXFP1 85/4885GAA 2705/4885

“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.