SCHEMBL17214848

SCHEMBL17214848

Cc1nc(C)c(-c2nnc(SCC(=O)O)[nH]2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
KMT2A Q03164 2/20 0.37
CSNK2B P67870 1/20 0.37
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL18540009 0.89 POLB (0.39) GAAL3MBTL1MAPTALDH1A1POLB
SCHEMBL17214964 0.85 POLB (0.58) L3MBTL1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL17214883 0.78 GAA (0.42) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL17214768 0.73 POLB (0.39) KDM4EMAPTALDH1A1TDP1POLB
SCHEMBL17214760 0.73 KMT2A (0.41) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL17214845 0.72 ALDH1A1 (0.44) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL17214886 0.72 KMT2A (0.41) GAAKDM4EALDH1A1TDP1POLB
Tiazotic Acid SCHEMBL6409061 0.72 POLB (0.51) GAAL3MBTL1KDM4EMAPTALDH1A1
SCHEMBL11887741 0.71 TYMP (0.57) GAAKDM4EMAPTALDH1A1TDP1
SCHEMBL17214887 0.71 ALDH1A1 (0.41) GAAKDM4EMAPTALDH1A1TDP1

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 6 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-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
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 GAA 3134/4885L3MBTL1 2891/4885KDM4E 4470/4885

“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.