SCHEMBL1973369

SCHEMBL1973369

COC(=O)c1cc(Br)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
DAO P14920 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL1971697 0.89 MAPT (0.44) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL1971695 0.86 MAPT (0.41) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL1974281 0.81 GSK3B (0.44) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL21054378 0.79 CA12 (0.40) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL168008 0.78 MAPT (0.40) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL20269630 0.76 ABL1 (0.42) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL27191784 0.76 GAA (0.55) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL319034 0.76 GSK3B (0.53) ALDH1A1MAPTHPGDKMT2AGAA
SCHEMBL22833208 0.74 LCK (0.47) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL1374020 0.74 TSHR (0.44) MAPTHPGDKMT2AGAAHSD17B10

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-9000006-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2015-04-07 US disclosed
US-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2014-08-07 US disclosed
US-8703795-B2 Thienopyridine compounds, and methods of use thereof FIBROGEN, INC. (US) 2014-04-22 US disclosed
EP-1866318-B1 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN INC (US) 2011-06-22 EP disclosed
EP-1866318-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2007-12-19 EP disclosed
WO-2006094292-A2 THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2006-09-08 WO disclosed
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof FIBROGEN, INC. 2006-09-07 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 (2 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-20140221422-A1 NOVEL THIENOPYRIDINE COMPOUNDS, AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN2 ALDH1A1 488/4885MAPT 3256/4885HPGD 21/4885
US-20060199836-A1 Novel thienopyridine compounds, and methods of use thereof HIF1AN, HIF1A, EGLN2 ALDH1A1 488/4885MAPT 3256/4885HPGD 21/4885

“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.