SCHEMBL3537547

SCHEMBL3537547

CC(C#N)O[PH](=O)OC(C)C#N

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL3537548 0.79
Butane SCHEMBL6847120 0.72
SCHEMBL7130265 0.71
SCHEMBL264243 0.65
SCHEMBL214833 0.65
SCHEMBL6590316 0.63
SCHEMBL104305 0.63
SCHEMBL4741885 0.63
Methane SCHEMBL9705790 0.63
SCHEMBL27623259 0.63

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
EP-3775957-A1 MATERIALS WITH HIGH DIELECTRIC CONSTANT FOR MAGNETIC RESONANCE IMAGING INSTRUMENTS Centre National de la Recherche Scientifique - CNRS (FR) 2021-02-17 EP claimed
CN-117545754-A Modulators of TREX1 星座制药公司 2024-02-09 CN disclosed
CN-113924092-A Quinoline and quinazoline compounds and methods of use thereof 斯汀格瑞治疗股份有限公司 2022-01-11 CN disclosed
CN-111574464-A Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2020-08-25 CN disclosed
CN-107278201-B Quinazoline derivatives for the treatment of HIV 吉利德科学公司 2020-05-19 CN disclosed
CN-102361851-B Method for producing cyclopropanecarboxylic acid ester SUMITOMO CHEMICAL CO 2014-03-19 CN disclosed
EP-1940401-B1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
CN-102361851-A Method for producing cyclopropanecarboxylic acid ester SUMITOMO CHEMICAL CO 2012-02-22 CN disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
EP-1940401-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007148808-A1 TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-27 WO disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 WO disclosed
CN-1249023-C Ester compound and use thereof SUMITOMO CHEMICAL CO (JP) 2006-04-05 CN disclosed
US-6908945-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-06-21 US disclosed
CN-1451650-A Ester compound and use thereof SUMITOMO CHEMICAL CO (JP) 2003-10-29 CN disclosed
US-20030195119-A1 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2-(2-cyanopropenyl)-3,3-dimethylcyclopropanecarboxylate; pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-16 US disclosed
EP-0745586-B1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-03-08 EP disclosed
EP-0745586-A1 Aryl(alkyl) propylamides, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-12-04 EP disclosed
US-4431576-A COSMETICS; TOILETRIES; DETERGENTS; INSECTICIDES; WAXES ROUSSEL UCLAF (FR) 1984-02-14 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 (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-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC3R TSHR 367/4885
US-20030195119-A1 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2-(2-cyanopropenyl)-3,3-dimethylcyclopropanecarboxylate; pesticides DDT, CASP3, CASP2 TSHR 2882/4885

“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.