SCHEMBL918238

SCHEMBL918238

O=S(=O)(O)CCCNC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CXCR4 P61073 4/20 0.40
APP P05067 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CXCL12 P48061 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
EPHX1 P07099 2/20 0.35
HRH4 Q9H3N8 5/20 0.35
HRH3 Q9Y5N1 5/20 0.35
GNAI3 P08754 2/20 0.34
GNAO1 P09471 2/20 0.34
GNAI1 P63096 2/20 0.34

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
SCHEMBL21518428 0.96 S1PR4 (0.41) S1PR4S1PR1S1PR3S1PR5CXCR4
SCHEMBL918520 0.96 CXCR4 (0.44) S1PR4S1PR1S1PR3S1PR5CXCR4
SCHEMBL21518374 0.94 CXCR4 (0.46) CXCR4ALDH1A1CXCL12KMT2AKDM4E
SCHEMBL918578 0.94 CXCR4 (0.46) CXCR4ALDH1A1CXCL12KMT2AKDM4E
SCHEMBL37872 0.94 CXCR4 (0.46) CXCR4ALDH1A1CXCL12KMT2AKDM4E
Ammonia Solution, Strong SCHEMBL4735488 0.92 CXCR4 (0.45) CXCR4ALDH1A1CXCL12KMT2AKDM4E
SCHEMBL3857080 0.92 CXCR4 (0.45) CXCR4ALDH1A1CXCL12KMT2AKDM4E
SCHEMBL31100384 0.92 CXCR4 (0.45) CXCR4ALDH1A1CXCL12KMT2AKDM4E
Phosphine SCHEMBL28328787 0.92 CXCR4 (0.45) CXCR4ALDH1A1CXCL12KMT2AKDM4E
SCHEMBL21518383 0.92 CXCR4 (0.44) S1PR4S1PR1S1PR3S1PR5CXCR4

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 73 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-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US 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
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 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-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
WO-2004113275-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES 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 (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-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS S1PR4 1075/4885S1PR1 393/4885S1PR3 418/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 S1PR4 3981/4885S1PR1 3406/4885S1PR3 3633/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 S1PR4 3981/4885S1PR1 3406/4885S1PR3 3633/4885

“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.