SCHEMBL1120116

SCHEMBL1120116

N#CC=CS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
NFE2L2 Q16236 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
S100A4 P26447 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL1120113 1.00 PPARG (0.44) PPARGNFE2L2LMNAALDH1A1MAPT
SCHEMBL3730162 0.84 PPARG (0.57) PPARGNFE2L2LMNAALDH1A1MAPT
SCHEMBL19155588 0.84 PPARG (0.57) PPARGNFE2L2LMNAALDH1A1MAPT
SCHEMBL587895 0.84 PPARG (0.57) PPARGNFE2L2LMNAALDH1A1MAPT
SCHEMBL1194569 0.84 PPARG (0.57) PPARGNFE2L2LMNAALDH1A1MAPT
SCHEMBL15845143 0.82 PPARG (0.55) PPARGNFE2L2LMNAALDH1A1KMT2A
SCHEMBL21647828 0.82 PPARG (0.55) PPARGNFE2L2LMNAALDH1A1KMT2A
Cinnamonitrile SCHEMBL996307 0.75 KDM4E (0.54) NFE2L2LMNAALDH1A1MAPTKMT2A
Cinnamonitrile SCHEMBL23599 0.75 KDM4E (0.54) NFE2L2LMNAALDH1A1MAPTKMT2A
Cinnamonitrile SCHEMBL23933 0.75 KDM4E (0.54) NFE2L2LMNAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PPARG 4273/4885NFE2L2 242/4885LMNA 1462/4885
US-20110251135-A1 INHIBITORS OF PERITONEAL SEEDING OF CANCER CELLS NFKBIA, IKBKB, RELA PPARG 4448/4885NFE2L2 179/4885LMNA 3641/4885

“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.