SCHEMBL16090747

SCHEMBL16090747

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
AKR1B1 P15121 1/20 0.50
FFAR1 O14842 2/20 0.49
LMNA P02545 3/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RORC P51449 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL27698277 0.80 KMT2A (0.58) TSHREPHX2NR1H4ALDH1A1HPGD
SCHEMBL16090748 0.79 CYP4F2 (0.56) LMNAGAAALDH1A1HPGDMEN1
SCHEMBL69614 0.78 CA2 (0.79) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL13777366 0.76 CA2 (0.48) CA2GAAALDH1A1HPGDHSD17B10
SCHEMBL27618743 0.76 CA2 (0.52) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL10065854 0.75 CA2 (0.56) CA2CAMK2AAKR1B1FFAR1LMNA
Hydrochloric Acid SCHEMBL25180348 0.75 CA2 (0.75) CA2CAMK2AAKR1B1FFAR1LMNA
Hydrochloric Acid SCHEMBL6765874 0.75 CA2 (0.75) CA2CAMK2AAKR1B1FFAR1LMNA
SCHEMBL28872991 0.74 KMT2A (0.55) CA2LMNAEPHX2NR1H4ALDH1A1
SCHEMBL5845003 0.73 KMT2A (0.69) CA2CAMK2AAKR1B1FFAR1LMNA

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 CA2 3336/4885CAMK2A 2750/4885AKR1B1 3678/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CA2 3454/4885CAMK2A 2331/4885AKR1B1 3876/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CA2 3643/4885CAMK2A 2546/4885AKR1B1 3087/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 CA2 3599/4885CAMK2A 2301/4885AKR1B1 3005/4885

“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.