SCHEMBL794227

SCHEMBL794227

CCC(NC(=O)O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
Hydrochloric Acid SCHEMBL793324 0.98 USP2 (0.33) USP2TSHRALDH1A1MMP1MMP2
SCHEMBL902118 0.83 ALDH1A1 (0.36) USP2TSHRALDH1A1MMP1MMP2
SCHEMBL8534377 0.83 USP2 (0.36) USP2TSHRMMP1MMP2CA12
SCHEMBL9702897 0.82 USP2 (0.32) USP2TSHR
SCHEMBL4019168 0.81 USP2 (0.33) USP2TSHR
SCHEMBL27816009 0.81 ALDH1A1 (0.36) USP2TSHRALDH1A1MMP1MMP2
SCHEMBL9425063 0.81 USP2 (0.34) USP2TSHRMMP1MMP2CA12
Hydrochloric Acid SCHEMBL10858084 0.81 ALDH1A1 (0.35) USP2TSHRALDH1A1MMP1MMP2
SCHEMBL186588 0.79 CHRNB2 (0.35) USP2TSHRMMP1MMP2CA12
SCHEMBL28016721 0.79 CYP2D6 (0.30) CYP2D6CYP2C19

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774722-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO Epiodyne, Inc. (US) 2021-02-17 EP disclosed
WO-2019195634-A1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE, INC. (US) 2019-10-10 WO disclosed
EP-2961736-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-01-06 EP disclosed
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 WO disclosed
EP-2817345-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS Cerulean Pharma Inc. (US) 2014-12-31 EP disclosed
WO-2014131777-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-09-04 WO disclosed
US-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC (US) 2014-02-06 US disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 WO disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 WO disclosed
US-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US disclosed
EP-1383737-A1 PROCESS FOR THE PREPARATION OF ALKYL-N-(3-DIMETHYLAMINO)ALKYLCARBAMATES Bayer CropScience GmbH (DE) 2004-01-28 EP disclosed
WO-2002090322-A1 PROCESS FOR THE PREPARATION OF ALKYL-N-(3-DIMETHYLAMINO)ALKYLCARBAMATES BAYER CROPSCIENCE GMBH (DE) 2002-11-14 WO disclosed
EP-1095940-A2 Derivatives of 9-(3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphto[2,3-d][1,3]dioxol-6(5aH)-one, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-05-02 EP disclosed
US-4966916-A DI-AND TRIMETHYLAMINOETHYL BENZOATES, PHENYLCARBAMATES AND PHENYLTHIOCARBAMATES UNIVERSITY OF ROCHESTER 1990-10-30 US disclosed
US-4835162-A 3-QUINUCLIDINYL BENZOATE OR METHYL CARBAMATE UNIVERSITY OF ROCHESTER 1989-05-30 US disclosed
US-4108885-A Salts of thiocarbamic esters with fungicidal and fungistatic action SCHERING AG (DE) 1978-08-22 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 (1 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-20140037573-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS SYNCRIP, EXOSC5, EXOSC9 USP2 1898/4885TSHR 2594/4885ALDH1A1 3222/4885

“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.