SCHEMBL4393378

SCHEMBL4393378

COc1cccc(-n2c(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 2/20 0.40
PLA2G1B P04054 1/20 0.40
HPGD P15428 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL4400315 0.93 JUN (0.64) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4395538 0.92 JUN (0.68) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4398552 0.92 JUN (0.66) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4395345 0.92 JUN (0.61) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4395357 0.88 JUN (0.68) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4391181 0.87 JUN (0.56) JUNNFKB1NFKB2RELAALDH1A1
SCHEMBL4395401 0.87 JUN (0.66) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4398262 0.85 JUN (0.59) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4402494 0.85 JUN (0.82) JUNNFKB1NFKB2RELASMN1; SMN2
SCHEMBL4393288 0.85 JUN (0.71) JUNNFKB1NFKB2RELAALDH1A1

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
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
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-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
EP-2007393-A2 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) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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-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.