SCHEMBL1120216

SCHEMBL1120216

N#C/C=C/S(=O)(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 5/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL1120219 1.00 CA1 (0.44) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL4423649 0.83 CA2 (0.45) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL333923 0.83 CA2 (0.45) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL17048988 0.79 CA2 (0.41) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL17046823 0.79 CA2 (0.41) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL17046824 0.79 CA2 (0.41) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL513626 0.73 PPARG (0.47) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL5973925 0.73 PPARG (0.47) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL513627 0.73 PPARG (0.47) CA1CA2PRSS1PRSS2PRSS3
SCHEMBL11831525 0.72 KMT2A (0.54) MAPTALDH1A1TDP1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039175-B Method for preparing arylsulfonyl acrylonitrile 凯米拉公司 2024-02-20 CN disclosed
CN-115477611-A MRGPRX2 antagonists for the treatment of pseudoallergy 香港大学 2022-12-16 CN disclosed
WO-2011130395-A1 INHIBITORS OF FLIP TO TREAT CANCER UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-10-20 WO disclosed
US-20110251135-A1 INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-10-13 US disclosed
US-7989495-B2 3-Sulfonyl propenenitriles, e.g., BAY 11-7085 (3-(t-butylphenylsulfonyl)-2-propenenitrile; promoting apoptosis and inhibiting readhesion of cancer cells; antimetastasis agents, particularly for hepatic, parietal or peritoneal area; inhibiting tumorigenesis; antiproliferative agents (not for myeloma) UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-08-02 US disclosed
EP-2281077-A2 INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS University of Utah Research Foundation (US) 2011-02-09 EP disclosed
WO-2009124272-A2 INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-10-08 WO disclosed
US-20050124590-A1 Compositions and methods for inhibiting nf-kappab mediated tumorigenicity and adhesion dependent survival of cancer cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-09 US disclosed
WO-2003072038-A2 COMPOSITIONS AND METHODS FOR INHIBITING NF-κB MEDIATED TUMORIGENICITY AND ADHESION-DEPENDENT SURVIVAL OF CANCER CELLS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2003-09-04 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 (2 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-20050124590-A1 Compositions and methods for inhibiting nf-kappab mediated tumorigenicity and adhesion dependent survival of cancer cells NFKBIA, RELA, NFKB1 CA1 1475/4885CA2 3319/4885PRSS1 2809/4885
US-20110251135-A1 INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS NFKBIA, IKBKB, RELA CA1 872/4885CA2 2897/4885PRSS1 773/4885

“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.