SCHEMBL3976134

SCHEMBL3976134

CC(C)=NOS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 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
RAPGEF4 Q8WZA2 6/20 0.40
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL1936771 0.82 MEN1 (0.43) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL957952 0.82 MEN1 (0.43) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL187717 0.82 MEN1 (0.43) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL28872882 0.79 RAPGEF4 (0.47) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL29488823 0.77 F2 (0.38) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL22767840 0.77 F2 (0.43) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL25440241 0.75 MAPT (0.37) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL25843755 0.75 MEN1 (0.40) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL20638381 0.74 MEN1 (0.39) F2PRSS1PRSS2PRSS3MAPT
SCHEMBL2678329 0.73 CA1 (0.50) F2PRSS1PRSS2PRSS3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109294200-A A kind of preparation method of laminated silicate clay nano Composite polycarbonate material 宁波高新区诠宝绶新材料科技有限公司 2019-02-01 CN claimed
CN-108951277-A A kind of preparation method of paper grade (stock) anti-biotic material 孝感寰誉新材科技有限公司 2018-12-07 CN claimed
CN-109294200-A A kind of preparation method of laminated silicate clay nano Composite polycarbonate material 宁波高新区诠宝绶新材料科技有限公司 2019-02-01 CN disclosed
CN-108951277-A A kind of preparation method of paper grade (stock) anti-biotic material 孝感寰誉新材科技有限公司 2018-12-07 CN disclosed
US-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-26 US disclosed
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 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 (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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 F2 3969/4885PRSS1 304/4885PRSS2 191/4885
US-20180111942-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN3A, GRIN1, GRIN2B F2 4753/4885PRSS1 4567/4885PRSS2 4602/4885
US-20180111933-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN3A, GRM1 F2 3615/4885PRSS1 4011/4885PRSS2 4475/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 F2 3969/4885PRSS1 304/4885PRSS2 191/4885

“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.