SCHEMBL5830172

SCHEMBL5830172

COC(=O)CC(C)(C)CCCS

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.43
FFAR1 O14842 1/20 0.42
CPT2 P23786 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3283751 0.82 TSHR (0.46) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL14350639 0.82 FFAR1 (0.45) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL27312675 0.82 FFAR1 (0.43) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL27403262 0.82 FFAR1 (0.43) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL10259053 0.81 FFAR1 (0.48) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL9226097 0.79 TSHR (0.50) TSHRHSD17B10RECQLMGAMGAA
SCHEMBL3283791 0.78 TSHR (0.46) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL6711879 0.78 FFAR1 (0.41) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL22748746 0.78 FFAR1 (0.50) TSHRHSD17B10FFAR1CPT2TDP1
SCHEMBL22748621 0.78 FFAR1 (0.50) TSHRHSD17B10FFAR1CPT2TDP1

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 TSHR 3302/4885HSD17B10 180/4885FFAR1 608/4885
US-20040037787-A1 Ethyl 3-mercaptobutyrate as a flavoring agent and methods for preparing and using same CTH, CBS, ESD TSHR 3447/4885HSD17B10 193/4885FFAR1 828/4885
US-20060165608-A1 ETHYL 3-MERCAPTOBUTYRATE AS A FLAVORING OR FRAGRANCE AGENT AND METHODS FOR PREPARING AND USING SAME CTH, CBS, MPST TSHR 3740/4885HSD17B10 157/4885FFAR1 532/4885
US-20050042257-A1 Ethyl 3-mercaptobutyrate as a flavoring or fragrance agent and methods for preparing and using same CTH, CBS, MPST TSHR 3740/4885HSD17B10 157/4885FFAR1 532/4885

“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.