SCHEMBL3055708

SCHEMBL3055708

O=C(O)CCc1ccccc1OCC1CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.67
THRB P10828 2/20 0.67
RIPK1 Q13546 1/20 0.54
PTGER1 P34995 5/20 0.46
PTGER4 P35408 5/20 0.46
PTGER3 P43115 5/20 0.46
PTGER2 P43116 5/20 0.46
NPSR1 Q6W5P4 1/20 0.45
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
DHFR P00374 1/20 0.43
FFAR1 O14842 1/20 0.43
KMO O15229 1/20 0.41
PTGDR Q13258 1/20 0.41

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
SCHEMBL31661793 1.00 THRA (0.67) THRATHRBRIPK1PTGER1PTGER4
SCHEMBL30364965 0.87 RIPK1 (0.56) THRATHRBRIPK1PTGER1SLC6A2
SCHEMBL6221087 0.82 THRA (0.61) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL3409167 0.81 THRA (0.47) THRATHRBRIPK1PTGER1PTGER4
SCHEMBL27908889 0.80 LTB4R (0.47) THRATHRBRIPK1LTB4RLTB4R2
SCHEMBL7340039 0.79 L3MBTL1 (0.63) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL3812430 0.78 THRA (0.53) THRATHRBFFAR4FFAR1PTGDR
SCHEMBL10711631 0.78 THRA (0.55) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL1208625 0.78 L3MBTL1 (0.59) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL25946209 0.78 RIPK1 (0.59) THRATHRBRIPK1SLC6A2SLC6A4

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 17 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
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
EP-2129218-B1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-10-19 EP disclosed
EP-2129218-B1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-10-19 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-8383852-B2 Compounds having a cyclic moiety and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-02-26 US disclosed
US-8383852-B2 Compounds having a cyclic moiety and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-02-26 US disclosed
US-8383852-B2 Compounds having a cyclic moiety and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2013-02-26 US disclosed
US-20100074861-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-03-25 US disclosed
US-20100074861-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-03-25 US disclosed
US-20100074861-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2010-03-25 US disclosed
EP-2129218-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-12-09 EP disclosed
WO-2008101240-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-08-21 WO disclosed
WO-2008101240-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-08-21 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-20100074861-A1 COMPOUNDS HAVING A CYCLIC MOIETY AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS PAICS, ABCB4, ALPP THRA 3597/4885THRB 2855/4885RIPK1 4726/4885
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 THRA 4819/4885THRB 4719/4885RIPK1 4489/4885

“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.