SCHEMBL7582708

SCHEMBL7582708

FC(F)(F)c1ccc(C(=S)S)c(Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MYC P01106 1/20 0.39
MAX P61244 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ALOX12 P18054 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7573416 0.80 BCL2 (0.42) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL7584267 0.77 MEN1 (0.58) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL9861515 0.76 MEN1 (0.57) MEN1KMT2AMAPTHPGDCYP3A4
SCHEMBL6270999 0.76 TSHR (0.49) MAPTALDH1A1CYP3A4CYP2D6BCL2
SCHEMBL7572805 0.75 BCL2 (0.40) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL7582814 0.73 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1CYP2D6
SCHEMBL21226998 0.73 TAAR1 (0.42) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL20540623 0.73 TAS2R14 (0.41) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL9861916 0.73 ALDH1A1 (0.45) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL28249149 0.73 PTPN1 (0.49) MEN1KMT2AMAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 1964/4885KMT2A 2408/4885MAPT 3212/4885

“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.