SCHEMBL655313

SCHEMBL655313

CS(=O)(=O)c1nc(N)nc2sc(C(Cc3ccccc3)c3ccc(F)cc3)nc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
HTR7 P34969 1/20 0.36
ADRB3 P13945 1/20 0.34
PTGDR2 Q9Y5Y4 5/20 0.34
BACE1 P56817 2/20 0.34
CYP19A1 P11511 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL654613 0.83 HTR7 (0.37) HTR7PTGDR2BACE1CYP19A1HSD17B10
SCHEMBL655712 0.74 PTGS2 (0.43) PTGS2PTGDR2PTGS1
SCHEMBL653684 0.73 PTGS2 (0.44) PTGS2HTR7PTGS1
SCHEMBL18531114 0.58 KDM4E (0.46) CYP19A1KDM4E
SCHEMBL15627637 0.58 ESR1 (0.52) CYP19A1KDM4E
SCHEMBL3285416 0.58 EPHX1 (0.50) CYP19A1PTGS1KDM4E
SCHEMBL9778351 0.57 EPHX2 (0.46) CYP19A1
Hydrochloric Acid SCHEMBL9205510 0.57 EPHX1 (0.48) CYP19A1KDM4E
SCHEMBL10636338 0.56 KDM4E (0.55) CYP19A1KDM4E
SCHEMBL15134813 0.56 ESR1 (0.55) CYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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 (5 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 PTGS2 1507/4885HTR7 2509/4885ADRB3 395/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 PTGS2 1507/4885HTR7 2509/4885ADRB3 395/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 PTGS2 1661/4885HTR7 1032/4885ADRB3 1026/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 PTGS2 2544/4885HTR7 2012/4885ADRB3 731/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 PTGS2 1413/4885HTR7 834/4885ADRB3 1494/4885

“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.