SCHEMBL5657148

SCHEMBL5657148

O=C(NCCOCCO)c1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 4/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL31661721 1.00 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ATDP1MAPK1
SCHEMBL18235578 0.89 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2AMAPK1NPC1
SCHEMBL772204 0.84 ALDH1A1 (0.54) MEN1KMT2ATDP1HTTTSHR
SCHEMBL5657977 0.83 MEN1 (0.58) SMN1; SMN2MEN1KMT2AMAPK1NPC1
SCHEMBL13299189 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AMAPK1NPC1
SCHEMBL7678490 0.82 ALDH1A1 (0.59) SMN1; SMN2MAPK1NPC1RAB9AHTT
SCHEMBL13162943 0.82 NPC1 (0.59) SMN1; SMN2MEN1KMT2AMAPK1NPC1
SCHEMBL5657924 0.82 HPGD (0.62) SMN1; SMN2MAPK1RAB9AHTTTSHR
SCHEMBL5655209 0.82 NPC1 (0.65) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL31661799 0.82 HPGD (0.62) SMN1; SMN2MAPK1RAB9AHTTTSHR

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
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 CN 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
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 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
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 CN 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 SMN1; SMN2 225/4885MEN1 2174/4885KMT2A 4430/4885
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 SMN1; SMN2 366/4885MEN1 3557/4885KMT2A 4752/4885

“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.