SCHEMBL5829688

SCHEMBL5829688

CCCCOC(=O)CCCCCS

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.68
DNM1 Q05193 1/20 0.61
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
NAAA Q02083 1/20 0.52
PAM P19021 2/20 0.52
HTR2C P28335 1/20 0.50
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL7076234 1.00 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL6742895 0.98 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL11315923 0.96 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL2864363 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL9420809 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL10961476 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL11404866 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL9420594 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL16145053 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL9420628 0.94 DGKA (0.71) DGKADNM1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153995-B2 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same BUSH, BOAKE ALLEN INC. (US) 2006-12-26 US disclosed
US-20060165608-A1 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME DEWIS MARK L 2006-07-27 US disclosed
US-7074453-B2 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same BUSH, BOAKE ALLEN, INC. (US) 2006-07-11 US disclosed
US-6878366-B2 Ethyl 3-mercaptobutyrate as a perfuming agent and methods for preparing and using same BUSH, BOAKE ALLEN, INC. (US) 2005-04-12 US disclosed
US-20050042257-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same DEWIS MARK LAWRENCE (GB) 2005-02-24 US disclosed
EP-1276390-A4 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME INT FLAVORS & FRAGRANCES INC (US) 2004-05-12 EP disclosed
US-20040037787-A1 Ethyl 3-mercaptobutyrate as a flavoring agent and methods for preparing and using same DEWIS MARK LAWRENCE (GB) 2004-02-26 US disclosed
US-20030064146-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2003-04-03 US disclosed
EP-1276390-A1 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME International Flavors & Fragrances Inc. (US) 2003-01-22 EP disclosed
US-20020150662-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same BUSH BOAKE ALLEN INC. 2002-10-17 US disclosed
WO-2001080666-A1 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2001-11-01 WO disclosed
US-4433134-A POLYOXYALKYLENEPOLYOL PHILLIPS PETROLEUM COMPANY (US) 1984-02-21 US disclosed
US-4307225-A STORAGE STABLE PHILLIPS PETROLEUM COMPANY (US) 1981-12-22 US disclosed
US-4232167-A Preparation of alkyl mercaptocarboxylate/dialkyl thiodicarboxylate mixture using sulfur and/or water cocatalyst PHILLIPS PETROLEUM COMPANY (US) 1980-11-04 US disclosed
US-4224436-A MERCAPTAN-TERMINATED POLYETHER; THERMAL STABILITY PHILLIPS PETROLEUM COMPANY (US) 1980-09-23 US disclosed
US-4113707-A Poly(oxyalkylene)-polyester-poly(sulfide)-polythiol prepared by ester interchange PHILLIPS PETROLEUM COMPANY (US) 1978-09-12 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 (4 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-20030064146-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same CTH, CBS, MPST DGKA 1707/4885DNM1 4279/4885PRSS1 2588/4885
US-20040037787-A1 Ethyl 3-mercaptobutyrate as a flavoring agent and methods for preparing and using same CTH, CBS, ESD DGKA 1754/4885DNM1 4222/4885PRSS1 2754/4885
US-20060165608-A1 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME CTH, CBS, MPST DGKA 1496/4885DNM1 4491/4885PRSS1 2363/4885
US-20050042257-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same CTH, CBS, MPST DGKA 1496/4885DNM1 4491/4885PRSS1 2363/4885

“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.