SCHEMBL5656002

SCHEMBL5656002

O=C(NCCOCCO)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 2/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
MAOB P27338 1/20 0.58
NPC1 O15118 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
GFER P55789 1/20 0.51
MCHR1 Q99705 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.49

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
SCHEMBL14562080 0.84 NPC1 (0.65) SMN1; SMN2NPC1MEN1KMT2ARAB9A
SCHEMBL3499586 0.83 SMN1; SMN2 (0.83) SMN1; SMN2NPC1KMT2ARAB9AGAA
SCHEMBL9585652 0.83 CYP1A2 (0.70) SMN1; SMN2CYP1A2TSHRNFKB1MAOB
SCHEMBL7772373 0.83 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2TSHRNFKB1MAOB
SCHEMBL13593317 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2MEN1KMT2AMAPT
SCHEMBL8404711 0.81 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2TSHRNFKB1MAOB
SCHEMBL8404712 0.81 SMN1; SMN2 (0.55) SMN1; SMN2NPC1KMT2ARAB9ACA2
SCHEMBL12279683 0.81 NPC1 (0.65) SMN1; SMN2NFKB1NPC1KMT2ARAB9A
SCHEMBL3038665 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1KMT2ARAB9ACA2
SCHEMBL9584535 0.80 CYP1A2 (0.78) SMN1; SMN2CYP1A2TSHRNFKB1MAOB

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 22 patents — showing the first 20. 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-7071214-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2006-07-04 US disclosed
EP-0477912-B1 Novel N-acyldipeptides, and pharmaceutical compositions containing the same UNIV LJUBLJANI (SI) 2001-08-29 EP disclosed
EP-1015008-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2000-07-05 EP disclosed
WO-1998034632-A9 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 1999-09-02 WO disclosed
WO-1998034632-A1 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 1998-08-13 WO disclosed
US-5514654-A ANTITUMOR AGENTS AND IMMUNOMODULATORS UNIV LJUBLJANI (SI) 1996-05-07 US disclosed
EP-0477912-A2 Novel N-acyldipeptides, processes for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-04-01 EP 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 225/4885CYP1A2 3436/4885TSHR 3659/4885
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 366/4885CYP1A2 1899/4885TSHR 4340/4885

“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.