SCHEMBL17214845

SCHEMBL17214845

Cc1noc(C)c1-c1nnc(SCC(=O)O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.42
THRB P10828 3/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL17214919 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2POLBTHRBMAPT
SCHEMBL18552434 0.82 BRD4 (0.36) ALDH1A1
SCHEMBL17213040 0.81 ERN1 (0.39) ALDH1A1LMNA
SCHEMBL17213039 0.79 GRK6 (0.45) KMT2AMEN1
SCHEMBL17214848 0.72 GAA (0.44) ALDH1A1SMN1; SMN2POLBMAPTKMT2A
SCHEMBL17214886 0.72 KMT2A (0.41) ALDH1A1SMN1; SMN2POLBTHRBKMT2A
SCHEMBL16171077 0.72 GRK6 (0.41) ALDH1A1SMN1; SMN2POLBKDM4EHSD17B10
SCHEMBL21763930 0.72 PTGS2 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
Tiazotic Acid SCHEMBL6409061 0.72 POLB (0.51) ALDH1A1SMN1; SMN2POLBTHRBMAPT
SCHEMBL18540502 0.72 ERN1 (0.39) ALDH1A1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 ALDH1A1 4741/4885SMN1; SMN2 4582/4885POLB 3966/4885

“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.