SCHEMBL8973113

SCHEMBL8973113

O=C1CSC(=S)N1CCS(=O)(=O)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
RECQL P46063 4/20 0.46
GSK3A P49840 8/20 0.44
GSK3B P49841 8/20 0.44
GAA P10253 6/20 0.43
PAX8 Q06710 1/20 0.38
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 3/20 0.36
THRB P10828 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13894197 0.85 MAPT (0.44) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL4411450 0.76 GSK3A (0.53) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL3062340 0.75 GSK3A (0.62) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL11022809 0.74 MEN1 (0.57) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL2086208 0.71 GSK3A (0.46) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL11023531 0.70 MEN1 (0.60) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL10626019 0.70 GSK3A (0.47) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL11037601 0.69 MEN1 (0.62) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL16636652 0.69 GSK3A (0.56) MEN1KMT2AALDH1A1RECQLGSK3A
SCHEMBL4579359 0.69 GSK3A (0.59) MEN1KMT2AALDH1A1RECQLGSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP MEN1 4459/4885KMT2A 2032/4885ALDH1A1 3575/4885

“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.