SCHEMBL5657142

SCHEMBL5657142

CC(NC(=O)c1ccccc1I)OCCO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
BRPF1 P55201 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL5657918 0.83 ALDH1A1 (0.52) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL4828073 0.77 MEN1 (0.53) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL15271619 0.73 MEN1 (0.51) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL28442756 0.73 MEN1 (0.51) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL45707 0.72 ITGB2 (0.40) MEN1KMT2ALMNAPOLB
SCHEMBL1636236 0.71 TAS1R3 (0.52) MEN1KMT2ATDP1
SCHEMBL1636233 0.71 MEN1 (0.47) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL1636418 0.71 MEN1 (0.47) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL4832395 0.71 CTSS (0.52) MEN1KMT2ATDP1KDM4EHPGD
SCHEMBL8470928 0.71 KMT2A (0.49) MEN1KMT2ATDP1KDM4EHPGD

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 8 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
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
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-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 (1 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-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 MEN1 3557/4885KMT2A 4752/4885TDP1 4527/4885

“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.