SCHEMBL193138

SCHEMBL193138

N#CCCOP(O)(=S)OCCC#N

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2386556 0.85
SCHEMBL8922266 0.79 TDP1 (0.37) ALDH1A1TDP1
SCHEMBL22652 0.75
SCHEMBL497349 0.75 P2RY14 (0.34) ALDH1A1TDP1
Water SCHEMBL6908198 0.75 LPAR3 (0.41) ALDH1A1TDP1
SCHEMBL5485766 0.73
SCHEMBL7216239 0.73 LPAR3 (0.40) ALDH1A1TDP1
SCHEMBL6653137 0.73 LPAR3 (0.40) ALDH1A1TDP1
SCHEMBL6998234 0.73 LPAR3 (0.40) ALDH1A1TDP1
Water SCHEMBL11512537 0.73 LPAR3 (0.40) ALDH1A1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481743-B1 LPA receptor agonists and antagonists and methods of use UNIV TENNESSEE RES FOUND (US) 2017-03-22 EP disclosed
EP-2433946-B1 LPA receptor agonists and antagonists and methods of use UNIV TENNESSEE RES FOUNDATION (US) 2016-04-20 EP disclosed
EP-2767541-A1 LPA receptor agonists and antagonists Rxbio, Inc. (US) 2014-08-20 EP disclosed
EP-2262371-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS RXBIO INC (US) 2014-01-01 EP disclosed
EP-2481743-A1 LPA receptor agonists and antagonists and methods of use UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-08-01 EP disclosed
US-20120135967-A1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE MILLER DUANE D (US) 2012-05-31 US disclosed
EP-2433946-A1 LPA receptor agonists and antagonists and methods of use University of Tennessee Research Foundation (US) 2012-03-28 EP disclosed
US-20120010424-A1 LPA Receptor Agonists and Antagonists RXBIO INC. 2012-01-12 US disclosed
EP-1678096-B1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES FOUNDATION (US) 2012-01-04 EP disclosed
US-7947665-B2 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation MILLER DUANE D 2011-05-24 US disclosed
WO-2010051053-A1 LPA RECEPTOR AGONISTS AND ANTAGONISTS RXBIO, INC. (US) 2010-05-06 WO disclosed
US-20080090783-A1 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation MILLER DUANE D 2008-04-17 US disclosed
US-7217704-B2 LPA receptor agonists and antagonists and methods of use THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-05-15 US disclosed
EP-1678096-A4 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIV TENNESSEE RES CORP (US) 2007-04-18 EP disclosed
EP-1678096-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 2006-07-12 EP disclosed
US-20060009507-A1 Thio-phosphoric and -phosphorous acid derivatives; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-01-12 US disclosed
WO-2005032494-A2 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2005-04-14 WO disclosed
US-5644048-A Process for preparing phosphorothioate oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
WO-1994019363-A1 PROCESS FOR PREPARING PHOSPHOROTHIOATE OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
US-5210264-A S-(2,4-dichlorobenzyl)-β-cyanoethyl phosphorothioate diester ISIS PHARMACEUTICALS, INC. (US) 1993-05-11 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 (4 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-20060009507-A1 Thio-phosphoric and -phosphorous acid derivatives; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation LPAR1, LPAR6, LPAR2 ALDH1A1 1415/4885TDP1 1152/4885
US-20120010424-A1 LPA Receptor Agonists and Antagonists LPAR1, LPAR2, LPAR4 ALDH1A1 1405/4885TDP1 2073/4885
US-20120135967-A1 LPA RECEPTOR AGONISTS AND ANTAGONISTS AND METHODS OF USE LPAR1, LPAR2, LPAR4 ALDH1A1 664/4885TDP1 2456/4885
US-20080090783-A1 lysophosphatidic acid receptor modulator; thiophosphoric acid O-[7-(4-octyl-phenyl)-heptyl] ester; treating cancer, wounds, skin disorders and apoptosis; preserving or restoring function in a cell, tissue or organ; culturing cells; preserving organ or tissue function; and enhancing cell proliferation LPAR1, LPAR4, LPAR2 ALDH1A1 1703/4885TDP1 1134/4885

“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.