SCHEMBL5655299

SCHEMBL5655299

O=C(O)CCCc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.59
TBXAS1 P24557 1/20 0.59
MAPK1 P28482 1/20 0.59
PTGS2 P35354 1/20 0.59
MAPK14 Q16539 1/20 0.59
STK39 Q9UEW8 12/20 0.58
PARG Q86W56 3/20 0.54
PNLIP P16233 1/20 0.52
ALOX15 P16050 1/20 0.51
NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL5658654 0.93 PTGS1 (0.61) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL5658052 0.85 PTGS1 (0.64) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL9827917 0.84 ACLY (0.60) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL19077944 0.84 PTGS1 (0.60) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL13593307 0.84 P2RX1 (0.66) ALOX15NR1H4
SCHEMBL649911 0.80 PTGS1 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL29375129 0.80 PTGS1 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL13290707 0.80 PTGS1 (0.57) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL9868077 0.79 STK39 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL5656653 0.78 ALDH1A1 (0.65) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US claimed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP claimed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO claimed
EP-1015008-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2006-08-09 EP claimed
EP-1015008-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2000-07-05 EP claimed
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 WO claimed
WO-1998034632-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-08-13 WO claimed
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS PLATINUM MONTAUR LIFE SCIENCES, LLC AND AS AGENT (KY) 2017-07-06 US disclosed
EP-3110427-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE Urigen Pharmaceuticals, Inc. (US) 2017-01-04 EP disclosed
WO-2015127416-A1 COMPOSITIONS OF PENTOSAN POLYSULFATE SALTS FOR ORAL ADMINISTRATION AND METHODS OF USE URIGEN PHARMACEUTICALS, INC. (US) 2015-08-27 WO disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2009-12-31 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7553872-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2009-06-30 US disclosed
US-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 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 (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-20090324540-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB4, ABCB7, ALPP PTGS1 1784/4885TBXAS1 1375/4885MAPK1 4648/4885
US-20170189443-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASES AND CONDITIONS EMPLOYING ORAL ADMINISTRATION OF SODIUM PENTOSAN POLYSULFATE AND OTHER PENTOSAN POLYSULFATE SALTS SI, SLC20A1, SLC20A2 PTGS1 207/4885TBXAS1 2533/4885MAPK1 3137/4885

“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.