SCHEMBL2904772

SCHEMBL2904772

S=C(S)c1ccccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
BCL2L1 Q07817 1/20 0.44
HNF4A P41235 1/20 0.44
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
BACE1 P56817 1/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7573634 0.84 HNF4A (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL6070294 0.81 BCAT2 (0.56) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL709834 0.77 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8772448 0.77 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL4204955 0.77 BCAT2 (0.63) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL1158051 0.77 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL28885072 0.76 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL2129015 0.76 BCAT2 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL14471686 0.75 BCAT2 (0.60) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL2843780 0.75 BCAT2 (0.60) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603873-B1 PROCESS FOR PREPARING DITHIOESTERS EVONIK ROHMAX ADDITIVES GMBH (DE) 2010-08-11 EP disclosed
US-20090233817-A1 Methods for Testing the Effect of Polymer Additives on Wax Deposition from Crude Oils and Reducing Wax Deposition from Crude Oil During Pipeline Transmission KRIEGEL ROBERT M 2009-09-17 US disclosed
CN-100360501-C Process for preparing dithioesters ROHMAX ADDITIVES GMBH (DE) 2008-01-09 CN disclosed
CN-1761647-A Process for preparing dithioesters ROHMAX ADDITIVES GMBH (DE) 2006-04-19 CN disclosed
EP-1603873-A1 PROCESS FOR PREPARING DITHIOESTERS Rohmax Additives GmbH (DE) 2005-12-14 EP disclosed
US-6841695-B2 Process for preparing dithioesters ROHMAX ADDITIVES GMBH (DE) 2005-01-11 US disclosed
WO-2004083169-A1 PROCESS FOR PREPARING DITHIOESTERS ROHMAX ADDITIVES GMBH (DE) 2004-09-30 WO disclosed
US-20040186302-A1 Process for preparing dithioesters ROHMAX ADDITIVES GMBH (DE) 2004-09-23 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-20040186302-A1 Process for preparing dithioesters TST, TALDO1, DHPS BCAT2 3778/4885MEN1 3587/4885KMT2A 3897/4885

“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.