SCHEMBL4815940

SCHEMBL4815940

FC(F)=CCCSc1nccs1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
FBP1 P09467 12/20 0.42
PDK1 Q15118 1/20 0.42
FDPS P14324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HSD17B3 P37058 1/20 0.34
CTSK P43235 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
SCHEMBL3323719 0.77 HTR7 (0.56) HTR7FBP1PDK1FDPSSMN1; SMN2
SCHEMBL15331155 0.77 HTR7 (0.56) HTR7FBP1PDK1FDPSSMN1; SMN2
SCHEMBL1381549 0.76 HTR7 (0.54) HTR7FBP1PDK1FDPSSMN1; SMN2
SCHEMBL8412672 0.74 HTR7 (0.56) HTR7FBP1PDK1FDPSSMN1; SMN2
SCHEMBL10363092 0.74 HTR7 (0.51) HTR7FBP1PDK1FDPSSMN1; SMN2
SCHEMBL7020311 0.73 FBP1 (0.42) FBP1SMN1; SMN2HSD17B3
SCHEMBL9232146 0.73 PDPK1 (0.36) HTR7FBP1
SCHEMBL7020542 0.73 APEX1 (0.46) SMN1; SMN2
SCHEMBL7015079 0.73
SCHEMBL719258 0.72 RAB9A (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439408-B2 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
US-7385093-B2 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2008-06-10 US disclosed
US-20060183914-A1 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles STRAUB ALEXANDER 2006-08-17 US disclosed
US-20060183915-A1 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2006-08-17 US disclosed
US-7078527-B2 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles BAYER CROPSCIENCE AG (DE) 2006-07-18 US disclosed
EP-1467980-B1 METHOD FOR PRODUCING HALOGENATED 2-(3-BUTENYLSULFANYL)-1,3-THIAZOLES BAYER CROPSCIENCE AG (DE) 2005-07-27 EP disclosed
US-20050124816-A1 reacting a 1-halo, mesylate, or tosylate-4,4-difluorobutene with a thiocyanate, giving a butenylthiocyanate; converting to a dithiocarbamate by reacting with hydrogen sulfide; condensation and cyclization with (chloro)acetaldehyde; circumvents 2-mercapto-1,3-thiazole intermediate; by-product inhibition MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2005-06-09 US disclosed
EP-1467980-A1 METHOD FOR PRODUCING HALOGENATED 2-(3-BUTENYLSULFANYL)-1,3-THIAZOLES Bayer CropScience AG (DE) 2004-10-20 EP disclosed
WO-2003059896-A1 METHOD FOR PRODUCING HALOGENATED 2-(3-BUTENYLSULFANYL)-1,3-THIAZOLES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-24 WO disclosed
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-6156904-A 2-(4-CHLORO-4,4-DIFLUOROBUTYLTHIO)THIAZOLE USED AS AGRICULTURAL NEMATOCIDE ZENECA LIMITED (GB) 2000-12-05 US disclosed
US-6025497-A Processes for the production of 5-chloro-2-(4,4-difluorobut-3-enylsulphonyl)thiazole ZENECA LIMITED (GB) 2000-02-15 US disclosed
EP-0977744-A1 PROCESS FOR THE PRODUCTION OF 5-CHLORO-2- (4,4-DIFLUOROBUT-3-ENYLSULPHONYL) THIAZOLE AND INTERMEDIATES THEREFOR ZENECA LIMITED (GB) 2000-02-09 EP disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
WO-1998047884-A1 PROCESS FOR THE PRODUCTION OF 5-CHLORO-2- (4,4-DIFLUOROBUT-3-ENYLSULPHONYL) THIAZOLE AND INTERMEDIATES THEREFOR ZENECA LIMITED (GB) 1998-10-29 WO disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO 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 (3 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-20050124816-A1 reacting a 1-halo, mesylate, or tosylate-4,4-difluorobutene with a thiocyanate, giving a butenylthiocyanate; converting to a dithiocarbamate by reacting with hydrogen sulfide; condensation and cyclization with (chloro)acetaldehyde; circumvents 2-mercapto-1,3-thiazole intermediate; by-product inhibition TST, CBS, CTH HTR7 2501/4885FBP1 153/4885PDK1 2134/4885
US-20060183915-A1 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles TST, SULT1A1, CTH HTR7 1501/4885FBP1 2149/4885PDK1 2831/4885
US-20060183914-A1 Method for producing halogenated 2-(3-butenylsulphanyl)-1,3-thiazoles HCN4, HCN2, KCNH3 HTR7 3034/4885FBP1 4141/4885PDK1 4600/4885

“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.