SCHEMBL7573416

SCHEMBL7573416

Fc1ccc(C(=S)S)c(Cc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
ALOX5 P09917 1/20 0.41
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
SLC5A2 P31639 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
Thiobenzoic Acid SCHEMBL7576129 0.81 BCL2 (0.40) BCL2BCL2L1ALOX5PLA2G1BATG4B
SCHEMBL7584267 0.81 MEN1 (0.58) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL7582708 0.80 MEN1 (0.40) BCL2BCL2L1MEN1KMT2AALDH1A1
SCHEMBL4219021 0.80 PTPN1 (0.53) BCL2BCL2L1ALOX5KMT2APTPN1
SCHEMBL6270999 0.79 TSHR (0.49) BCL2BCL2L1ALOX5ALDH1A1PTPN1
SCHEMBL7572805 0.78 BCL2 (0.40) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL5802389 0.77 PLA2G2A (0.46) BCL2BCL2L1ALOX5LMNAHTT
SCHEMBL7582814 0.77 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2045956 0.77 BCL2 (0.39) BCL2BCL2L1ALOX5MEN1KMT2A
SCHEMBL3068133 0.75 BCL2 (0.40) BCL2BCL2L1ALOX5HTTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458968-B2 REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE RENSSELAER POLYTECHNIC INSTITUTE 2002-10-01 US claimed
US-20020019554-A1 Dithiocarboxylic ester synthetic process RENSSELAER POLYTECHNIC INSTITUTE 2002-02-14 US claimed
US-6458968-B2 REACTING A CARBOXYLIC ACID COMPOUND WITH AN ALCOHOL OR MERCAPTAN, THEN PHOSPHORUS PENTASULFIDE RENSSELAER POLYTECHNIC INSTITUTE 2002-10-01 US disclosed
US-20020019554-A1 Dithiocarboxylic ester synthetic process RENSSELAER POLYTECHNIC INSTITUTE 2002-02-14 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-20020019554-A1 Dithiocarboxylic ester synthetic process TST, PCCA, CTH BCL2 4622/4885BCL2L1 4596/4885ALOX5 1038/4885

“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.