SCHEMBL208918

SCHEMBL208918

CC(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.56
F2 P00734 3/20 0.54
PRSS1 P07477 3/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
TSHR P16473 1/20 0.54
P4HTM Q9NXG6 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
PFKFB3 Q16875 1/20 0.48
HDAC1 Q13547 1/20 0.47
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL25140723 0.85 HCRTR1 (0.59) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL9180166 0.84 TSHR (0.59) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL20446636 0.84 F2 (0.55) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL7785890 0.84 HCRTR1 (0.51) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL6850548 0.83 HCRTR1 (0.54) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL1756801 0.83 F2 (0.54) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL1756802 0.83 F2 (0.62) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL208917 0.83 F2 (0.54) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL17286557 0.82 HCRTR1 (0.52) HCRTR1F2PRSS1PRSS2PRSS3
SCHEMBL2372503 0.80 HCRTR1 (0.50) HCRTR1F2PRSS1PRSS2PRSS3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 US disclosed
WO-2014047427-A2 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2014-03-27 WO disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-7880005-B2 reacting 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with an alkali metal nitrite in the presence of a reducing agent in an aqueous solution of an acidic compound; hydrolysis; industrial scale DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-01 US disclosed
EP-2266991-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (8 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL HCRTR1 831/4885F2 1/4885PRSS1 616/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 HCRTR1 998/4885F2 1/4885PRSS1 2689/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HCRTR1 895/4885F2 1/4885PRSS1 166/4885
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HCRTR1 2300/4885F2 4737/4885PRSS1 1653/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HCRTR1 583/4885F2 4/4885PRSS1 412/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HCRTR1 583/4885F2 4/4885PRSS1 412/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HCRTR1 469/4885F2 4/4885PRSS1 520/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 HCRTR1 827/4885F2 2/4885PRSS1 4083/4885

“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.