SCHEMBL17214751

SCHEMBL17214751

COc1cccc(-c2ccc(-c3nnc(SCC(=O)O)[nH]3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 4/20 0.53
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SLC9A1 P19634 1/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 2/20 0.42
PIN1 Q13526 1/20 0.42
MAPT P10636 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL17215002 0.90 GRK6 (0.41) GRK6ALDH1A1TSHRSMN1; SMN2TP53
SCHEMBL17214802 0.90 MAPT (0.45) GRK6ALDH1A1HPGDTSHRGAA
SCHEMBL18539887 0.90 GRK6 (0.41) GRK6ALDH1A1HPGDSLC9A1TSHR
SCHEMBL17214715 0.89 GRK6 (0.50) GRK6ALDH1A1HPGDTP53MAPT
SCHEMBL17214748 0.88 EIF4A1 (0.45) GRK6ALDH1A1HPGDTSHRGAA
SCHEMBL14907739 0.88 GRK6 (0.63) GRK6ALDH1A1TP53PIN1MAPT
SCHEMBL17214977 0.87 MAPT (0.47) GRK6ALDH1A1HPGDTSHRGAA
SCHEMBL17214822 0.87 STK17B (0.47) GRK6MAPT
SCHEMBL17214826 0.86 DHODH (0.43) ALDH1A1HPGDTSHRGAASMN1; SMN2
SCHEMBL17214739 0.86 GRK6 (0.49) GRK6MAPTRXFP1

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 GRK6 1/4885ALDH1A1 4741/4885HPGD 2605/4885

“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.