SCHEMBL2576791

SCHEMBL2576791

CCOC(=O)c1cnc(NN2C(=O)C=C(C)C2=O)nc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JUN P05412 19/20 1.00
NFKB1 P19838 19/20 1.00
NFKB2 Q00653 19/20 1.00
RELA Q04206 19/20 1.00
FOS P01100 12/20 0.68
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL541944 0.78 JUN (0.63) JUNNFKB1NFKB2RELAFOS
SCHEMBL8396932 0.77 KDM4E (0.70) JUNNFKB1NFKB2RELAFOS
SCHEMBL3922065 0.73 KDM4E (1.00) JUNNFKB1NFKB2RELAFOS
SCHEMBL2119119 0.73 KDM4E (0.74) JUNNFKB1NFKB2RELAFOS
SCHEMBL5928385 0.72 JUN (0.57) JUNNFKB1NFKB2RELAFOS
SCHEMBL4592592 0.72 KDM4E (0.72) JUNNFKB1NFKB2RELAFOS
SCHEMBL8543216 0.72 KDM4E (0.72) JUNNFKB1NFKB2RELAFOS
SCHEMBL25415290 0.71 KDM4E (0.71) JUNNFKB1NFKB2RELAFOS
Water SCHEMBL4592788 0.71 KDM4E (0.71) JUNNFKB1NFKB2RELAFOS
SCHEMBL30617280 0.71 KDM4E (0.71) JUNNFKB1NFKB2RELAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2827890-B1 IMMUNOMODULATORY AGENT AND USES THEREFOR UNIV QUEENSLAND (AU) 2019-08-28 EP disclosed
EP-2077821-B1 COMPOSITIONS AND METHODS FOR MODULATING IMMUNE RESPONSES UNIV QUEENSLAND (AU) 2019-08-14 EP disclosed
US-8969397-B2 Systems and methods to treat pain locally WARSAW ORTHOPEDIC, INC. (US) 2015-03-03 US disclosed
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
CN-101646418-B Compositions and methods for modulating immune responses UNIV QUEENSLAND 2013-07-17 CN disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-11-03 US disclosed
CN-101646418-A Compositions and methods for modulating immune responses UNIV QUEENSLAND AU 2010-02-10 CN disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 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 (3 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-20110268722-A1 COMBINATION THERAPIES WITH MITOCHONDRIAL-TARGETED ANTI-TUMOR AGENTS TFAM, AIFM1, MAVS JUN 1267/4885NFKB1 163/4885NFKB2 111/4885
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB JUN 2228/4885NFKB1 1188/4885NFKB2 1441/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB JUN 2228/4885NFKB1 1188/4885NFKB2 1441/4885

“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.