SCHEMBL1756802

SCHEMBL1756802

NC(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.62
PRSS1 P07477 3/20 0.62
PRSS2 P07478 3/20 0.62
PRSS3 P35030 3/20 0.62
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
TSHR P16473 1/20 0.54
HCRTR1 O43613 1/20 0.53
P4HTM Q9NXG6 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
SCN1A P35498 2/20 0.50
SCN2A Q99250 2/20 0.50
SCN3A Q9NY46 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9180166 0.84 TSHR (0.59) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL20446636 0.84 F2 (0.55) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL208918 0.83 HCRTR1 (0.56) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL1756801 0.83 F2 (0.54) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL208917 0.83 F2 (0.54) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL6850548 0.80 HCRTR1 (0.54) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL28617886 0.79 F2 (0.57) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL17286557 0.79 HCRTR1 (0.52) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL7363857 0.79 TSHR (0.50) F2PRSS1PRSS2PRSS3SLC1A3
SCHEMBL8224014 0.78 F2 (0.60) F2PRSS1PRSS2PRSS3SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973163-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2011-07-05 US disclosed
US-7943770-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-17 US disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed
US-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 US disclosed
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2009-10-29 US disclosed
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 US disclosed
US-7592453-B2 Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-22 US disclosed
EP-2080760-A1 Fused quinoline derivative and use thereof Takeda Pharmaceutical Company Limited (JP) 2009-07-22 EP disclosed
EP-1740584-B1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2008-12-03 EP disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
US-20050255998-A1 Mixture of colour developers CIBA SPECIALTY CHEMICALS CORP. 2005-11-17 US disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
CN-1526704-A Substituted triazolformamide compound 拜尔农作物科学股份公司 2004-09-08 CN disclosed
US-4588432-A Herbicidal selenylsulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-05-13 US disclosed
EP-0156521-A1 Herbicidal selenylsulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-10-02 EP disclosed
EP-0013480-B1 HERBICIDAL PYRIDINESULFONAMIDES, PREPARATION AND USE THEREOF AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-03-16 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 (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-20090275568-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 F2 2210/4885PRSS1 1840/4885PRSS2 825/4885
US-20090258893-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 F2 2210/4885PRSS1 1840/4885PRSS2 825/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 F2 2157/4885PRSS1 1808/4885PRSS2 759/4885
US-20090270625-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TACR2, HRH3, HRH2 F2 2237/4885PRSS1 1760/4885PRSS2 753/4885

“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.