SCHEMBL4647113

SCHEMBL4647113

CCCCCCN(C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
DNM1 Q05193 4/20 0.44
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
NAAA Q02083 1/20 0.39
DGKA P23743 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11095608 1.00 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL29186322 1.00 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL5696819 1.00 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL11092421 1.00 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL10633025 1.00 EPHX2 (0.45) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL4006880 0.98 EPHX2 (0.42) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL995722 0.94 LMNA (0.40) EPHX2DNM1ALDH1A1
SCHEMBL9357923 0.92 ALDH1A1 (0.41) EPHX2DNM1KDM5AKDM4CALDH1A1
SCHEMBL5547671 0.85 LMNA (0.36) EPHX2DNM1ALDH1A1
SCHEMBL8149451 0.85 LMNA (0.36) EPHX2DNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015031381-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C ENANTA PHARMACEUTICALS, INC. (US) 2015-03-05 WO disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-8222200-B2 Organic compounds GIVAUDAN SA (CH) 2012-07-17 US disclosed
US-8222200-B2 Organic compounds GIVAUDAN SA (CH) 2012-07-17 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
EP-1325051-B1 USE AS CATALYST FOR FORMING URETHANES, OF FLUORINATED AND TRIVALENT METAL ACID SALTS, COMPOSITION CONTAINING SAME AND METHODS USING SAME RHODIA CHIMIE SA (FR) 2008-08-20 EP disclosed
EP-1326711-B1 USE OF TIN DERIVATIVES AS CATALYSTS FOR TRANSFORMING CARBAMATES, CARBAMATE COMPOSITIONS COMPRISING SAID CATALYST AND METHOD FOR TRANSFORMING CARBAMATES RHODIA CHIMIE SA (FR) 2005-06-22 EP disclosed
EP-1326711-A1 USE OF TIN DERIVATIVES AS CATALYSTS FOR TRANSFORMING CARBAMATES, CARBAMATE COMPOSITIONS COMPRISING SAID CATALYST AND METHOD FOR TRANSFORMING CARBAMATES RHODIA CHIMIE (FR) 2003-07-16 EP disclosed
EP-1325051-A1 USE AS CATALYST FOR FORMING URETHANES, OF FLUORINATED AND TRIVALENT METAL ACID SALTS, COMPOSITION CONTAINING SAME AND METHODS USING SAME RHODIA CHIMIE (FR) 2003-07-09 EP disclosed
WO-2002031014-A1 USE AS CATALYST FOR FORMING URETHANES, OF FLUORINATED AND TRIVALENT METAL ACID SALTS, COMPOSITION CONTAINING SAME AND METHODS USING SAME RHODIA CHIMIE (FR) 2002-04-18 WO disclosed
WO-2002030565-A1 USE OF TIN DERIVATIVES AS CATALYSTS FOR TRANSFORMING CARBAMATES, CARBAMATE COMPOSITIONS COMPRISING SAID CATALYST AND METHOD FOR TRANSFORMING CARBAMATES RHODIA CHIMIE (FR) 2002-04-18 WO disclosed
EP-0143320-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY THERMAL DECOMPOSITION OF URETHANES BASF Aktiengesellschaft (DE) 1988-01-20 EP disclosed
EP-0078005-B1 METHOD FOR THE PREPARATION OF ISOCYANATES BY PYROLYSIS OF URETHANES BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
EP-0143320-A2 Method for the preparation of isocyanates by thermal decomposition of urethanes BASF Aktiengesellschaft (DE) 1985-06-05 EP disclosed
EP-0078005-A1 Method for the preparation of isocyanates by pyrolysis of urethanes BASF Aktiengesellschaft (DE) 1983-05-04 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 (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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT EPHX2 4729/4885DNM1 4230/4885KDM5A 1818/4885

“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.