SCHEMBL2160625

SCHEMBL2160625

CCOCCCCCC=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 2/20 0.48
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CES2 O00748 1/20 0.34
LPAR2 Q9HBW0 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33

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
SCHEMBL4780858 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL21436162 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL28016022 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL19287165 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL8204966 1.00 TSHR (0.54) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL4912351 0.98
SCHEMBL9007954 0.96 TSHR (0.50) TSHRFAAHTRPV1HIF1AMAPT
SCHEMBL5255821 0.93
SCHEMBL29128731 0.90
SCHEMBL16568619 0.85 TSHR (0.50) TSHRFAAHTRPV1HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP disclosed
US-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
CN-104918961-A Improved peptide drugs for insulin resistance MEDERIS DIABETES LLC 2015-09-16 CN disclosed
US-9089515-B2 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2015-07-28 US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
EP-1210082-B1 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS UNIV OXFORD (GB) 2008-01-02 EP disclosed
EP-1210082-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2002-06-05 EP disclosed
WO-2001010429-A2 LONG CHAIN N-ALKYL COMPOUNDS AND OXA-DERIVATIVES THEREOF AND USE AS ANTIVIRAL COMPOSITIONS THE CHANCELLOR, MASTERS, AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2001-02-15 WO disclosed
WO-1998042702-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP TSHR 4568/4885FAAH 4450/4885TRPV1 4623/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP TSHR 4568/4885FAAH 4450/4885TRPV1 4623/4885
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA TSHR 2541/4885FAAH 189/4885TRPV1 3233/4885

“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.