SCHEMBL918520

SCHEMBL918520

O=S(=O)(O)CCCNC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 5/20 0.44
ALDH1A1 P00352 3/20 0.40
CXCL12 P48061 1/20 0.40
HRH4 Q9H3N8 6/20 0.38
HRH3 Q9Y5N1 6/20 0.38
KMT2A Q03164 1/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL918578 0.98 CXCR4 (0.46) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL21518374 0.98 CXCR4 (0.46) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL37872 0.98 CXCR4 (0.46) CXCR4ALDH1A1CXCL12HRH4HRH3
Ammonia Solution, Strong SCHEMBL4735488 0.96 CXCR4 (0.45) CXCR4ALDH1A1CXCL12HRH4HRH3
Phosphine SCHEMBL28328787 0.96 CXCR4 (0.45) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL31100384 0.96 CXCR4 (0.45) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL3857080 0.96 CXCR4 (0.45) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL21518383 0.96 CXCR4 (0.44) CXCR4ALDH1A1CXCL12HRH4HRH3
SCHEMBL918238 0.96 S1PR4 (0.41) CXCR4ALDH1A1CXCL12HRH4HRH3
Phosphine SCHEMBL28327588 0.94 CXCR4 (0.44) CXCR4ALDH1A1CXCL12HRH4HRH3

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4107198-B1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-13 EP disclosed
EP-3560975-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES AND ANTIOXIDANTS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-12-06 EP disclosed
EP-3724251-B2 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-11-22 EP disclosed
EP-3851472-B1 IONICALLY HYDROPHILIZED POLYISOCYANATES, WATER CONTENT COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2023-06-07 EP disclosed
US-20230080775-A1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2023-03-16 US disclosed
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed
CN-110396165-B Ionically hydrophilicized polyisocyanates and antioxidants 科思创德国股份有限公司 2022-12-06 CN disclosed
CN-112041369-B Ionically hydrophilicized polyisocyanates, water content 科思创知识产权两合公司 2022-11-29 CN disclosed
CN-115066445-A Polyisocyanate formulations 科思创德国股份有限公司 2022-09-16 CN disclosed
CN-113651944-B Ionically hydrophilicized polyisocyanates having improved drying properties 科思创知识产权两合公司 2022-07-15 CN disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
CN-1839117-A Improved drug candidates and methods for their preparation NEUROCHEM INTERNAT LTD (CH) 2006-09-27 CN disclosed
US-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-22 US disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
EP-1644325-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2006-04-12 EP disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2005-05-05 US disclosed
WO-2004113275-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 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 (4 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-20060135403-A1 Therapeutic formulations for the treatment of beta-amyloid related diseases APP, IAPP, BACE1 CXCR4 2616/4885ALDH1A1 4695/4885CXCL12 901/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS CXCR4 3577/4885ALDH1A1 78/4885CXCL12 502/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CXCR4 2873/4885ALDH1A1 2989/4885CXCL12 2139/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 CXCR4 2873/4885ALDH1A1 2989/4885CXCL12 2139/4885

“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.