SCHEMBL375505

SCHEMBL375505

CC(C)(C)OC(=O)NCCOc1ccsc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 1/20 0.50
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
IDO1 P14902 2/20 0.44
SCN9A Q15858 1/20 0.42
KMT2A Q03164 3/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
PDK2 Q15119 1/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL375575 0.89 KMT2A (0.57) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL31078541 0.78 CA12 (0.44) CA12CA1CA2CA9IDO1
SCHEMBL28342955 0.77 MEN1 (0.46) L3MBTL1CA12CA1CA2CA9
SCHEMBL375504 0.76 KMT2A (0.54) RAB9ACA12CA1CA2CA9
SCHEMBL5257251 0.76 KDM4A (0.41) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL31078784 0.75 L3MBTL1 (0.57) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL3161402 0.75 CA12 (0.52) RAB9ACA12CA1CA2CA9
SCHEMBL4831596 0.74 RAB9A (0.55) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL29713682 0.74 CA12 (0.47) CA12CA1CA2CA9IDO1
SCHEMBL2477878 0.74 LMNA (0.39) L3MBTL1RAB9AIDO1KMT2AMEN1

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-2632460-B1 THIOPHENE DERIVATIVES FOR USE IN THE TREATMENT OF TUBERCULOSIS UNIV VIRGINIA PATENT FOUNDATION (US) 2018-02-28 EP disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
EP-2408770-B1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS Univ Virginia Patent Found (US) 2014-11-05 EP disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University of Virginia Patent Foundation d/b/a University of Virginia Licensing & Ventures Group (US) 2013-11-28 US disclosed
EP-2632460-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS University Of Virginia Patent Foundation (US) 2013-09-04 EP disclosed
WO-2012040170-A2 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-29 WO disclosed
EP-2408770-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS University Of Virginia Patent Foundation (US) 2012-01-25 EP disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 US disclosed
WO-2010107736-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-09-23 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-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS NRDC, TST, TBCD L3MBTL1 3129/4885RAB9A 1936/4885CA12 4759/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 L3MBTL1 1475/4885RAB9A 3418/4885CA12 4860/4885

“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.