SCHEMBL16090748

SCHEMBL16090748

COC(=O)Cc1ccc(CN[SH](=O)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL5844286 0.79 CYP4F2 (0.61) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL16090747 0.79 CA2 (0.52) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL7981410 0.79 CYP4F2 (0.66) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL28063710 0.78 CYP4F2 (0.59) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL5843449 0.77 KMT2A (0.60) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL13777370 0.76 ALDH1A1 (0.52) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL4765884 0.75 CYP4F2 (0.56) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL4765888 0.75 CYP4F2 (0.56) CYP4F2CYP4A11HPGDALDH1A1MAPT
SCHEMBL4104271 0.75 CYP4F2 (0.66) CYP4F2CYP4A11HPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 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 (4 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-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP4F2 1534/4885CYP4A11 4087/4885HPGD 1813/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP4F2 1465/4885CYP4A11 4128/4885HPGD 1765/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP4F2 579/4885CYP4A11 2794/4885HPGD 1252/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CYP4F2 529/4885CYP4A11 2838/4885HPGD 1170/4885

“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.