SCHEMBL646619

SCHEMBL646619

C[S+](C)N.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 6/20 0.47
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 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
Lithium Ion SCHEMBL28656990 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
Potassium Ion SCHEMBL28668574 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1499866 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL9165326 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL28656336 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL6274955 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
Silver SCHEMBL9243729 0.87 RAPGEF4 (0.54) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL11837095 0.81 RAPGEF4 (0.48) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL1694111 0.76 RAPGEF4 (0.41) RAPGEF4F2PRSS1PRSS2PRSS3
SCHEMBL4541179 0.76 RAPGEF4 (0.44) RAPGEF4CA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015649-A1 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2017-01-19 US disclosed
US-9365543-B2 N-Thio-anthranilamid compounds and their use as pesticides BASF SE 2016-06-14 US disclosed
US-20150353523-A1 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2015-12-10 US disclosed
US-9056853-B2 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2015-06-16 US disclosed
US-20140378458-A1 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2014-12-25 US disclosed
US-8772289-B2 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2014-07-08 US disclosed
US-20130079513-A1 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2013-03-28 US disclosed
US-8338419-B2 N-thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2012-12-25 US disclosed
US-20120149705-A1 N-Thio-anthranilamid compounds and their use as pesticides BASF SE (DE) 2012-06-14 US disclosed
US-8119568-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest II BASF SE (DE) 2012-02-21 US disclosed
US-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BASF SE (DE) 2010-01-14 US disclosed
US-20080221168-A1 Methyl-phenyl-sulfamoyl-N-(5-bromo-2-(3-chloro-pyridin-2-yl)-2H-pyrazole-3-carboxylic acid (2-carbamoyl-6-methyl-phenyl))-amide BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 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 (7 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-20080221168-A1 Methyl-phenyl-sulfamoyl-N-(5-bromo-2-(3-chloro-pyridin-2-yl)-2H-pyrazole-3-carboxylic acid (2-carbamoyl-6-methyl-phenyl))-amide AADAC, AAAS, ACMSD RAPGEF4 3503/4885F2 182/4885PRSS1 1421/4885
US-20120149705-A1 N-Thio-anthranilamid compounds and their use as pesticides NAT1, AAAS, NIT2 RAPGEF4 2322/4885F2 202/4885PRSS1 2551/4885
US-20140378458-A1 N-Thio-anthranilamid compounds and their use as pesticides NAT1, AAAS, ACHE RAPGEF4 2406/4885F2 446/4885PRSS1 2135/4885
US-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BPNT1, BCAT1, TGFBR1 RAPGEF4 2982/4885F2 980/4885PRSS1 1362/4885
US-20170015649-A1 N-Thio-anthranilamid compounds and their use as pesticides NAT1, AAAS, ACHE RAPGEF4 2406/4885F2 446/4885PRSS1 2135/4885
US-20150353523-A1 N-Thio-anthranilamid compounds and their use as pesticides NAT1, AAAS, ACHE RAPGEF4 2406/4885F2 446/4885PRSS1 2135/4885
US-20130079513-A1 N-Thio-anthranilamid compounds and their use as pesticides NAT1, AAAS, ACHE RAPGEF4 2406/4885F2 446/4885PRSS1 2135/4885

“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.