SCHEMBL2060973

SCHEMBL2060973

COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
MAPT P10636 7/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
MCL1 Q07820 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
NPC1 O15118 2/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
PAX8 Q06710 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ABCG2 Q9UNQ0 2/20 0.47
ABCB1 P08183 1/20 0.47
CCR5 P51681 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL13593302 0.89 MEN1 (0.53) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL28527153 0.84 MAPT (0.63) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL1468453 0.84 MAPT (0.49) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL5658112 0.84 MEN1 (0.57) POLBKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5656659 0.83 AVPR2 (0.56) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL5657987 0.82 RORC (0.67) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL29151313 0.81 NPC1 (0.62) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL30354805 0.81 KMT2A (0.73) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL7636114 0.80 MAPT (0.61) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2060948 0.79 MEN1 (0.73) POLBKMT2AMEN1MAPTALDH1A1

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 14 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
US-8148328-B2 Salicylanilides enhance oral delivery of therapeutic peptides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-04-03 US disclosed
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-28 US disclosed
EP-2182956-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS The Regents of the University of California (US) 2010-05-12 EP 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-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-25 US disclosed
EP-2049137-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES The Regents of the University of California (US) 2009-04-22 EP disclosed
WO-2009032749-A2 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2009-03-12 WO disclosed
WO-2008021088-A2 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNINA (US) 2008-02-21 WO 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 (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-20090163408-A1 SALICYLANILIDES ENHANCE ORAL DELIVERY OF THERAPEUTIC PEPTIDES DNPEP, NGLY1, VIP POLB 4634/4885KMT2A 3301/4885MEN1 3158/4885
US-20110183889-A1 SALICYLANILIDE MODIFIED PEPTIDES FOR USE AS ORAL THERAPEUTICS DNPEP, PTMS, NGLY1 POLB 3519/4885KMT2A 2123/4885MEN1 1625/4885
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 POLB 2682/4885KMT2A 4752/4885MEN1 3557/4885

“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.