SCHEMBL375593

SCHEMBL375593

O=C(O)c1ccc(-c2cccs2)o1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.57
ALDH1A1 P00352 5/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 1/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL27623968 0.87 S1PR4 (0.58) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28750265 0.84 S1PR4 (0.56) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL375486 0.81 S1PR4 (0.60) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL27555733 0.80 S1PR4 (0.49) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL499141 0.78 ALDH1A1 (0.53) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7138575 0.76 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL18169219 0.75 ALDH1A1 (0.73) S1PR4ALDH1A1HPGDKDM4EHSD17B10
Hydrochloric Acid SCHEMBL31462928 0.74 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EHSD17B10TDP1
SCHEMBL18169179 0.72 ALDH1A1 (0.54) S1PR4ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18169181 0.72 ALDH1A1 (0.54) S1PR4ALDH1A1HPGDKDM4EHSD17B10

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 13 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-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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 (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-20130317070-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS NRDC, TST, TBCD S1PR4 4563/4885ALDH1A1 3749/4885HPGD 300/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S S1PR4 507/4885ALDH1A1 556/4885HPGD 1353/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 S1PR4 4787/4885ALDH1A1 4060/4885HPGD 2875/4885

“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.