SCHEMBL6405045

SCHEMBL6405045

Cc1cccc(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 6/20 0.60
PIN1 Q13526 1/20 0.48
MAP3K8 P41279 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TYMP P19971 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL16171163 0.90 GRK6 (0.48) GRK6PIN1ALDH1A1THRBMAPT
SCHEMBL6411187 0.88 GRK6 (0.47) GRK6PIN1ALDH1A1MAPTKDM4E
SCHEMBL6405968 0.88 HDAC6 (0.52) GRK6ALDH1A1MAPTKDM4ENPC1
SCHEMBL14907872 0.87 MAPT (0.57) GRK6PIN1THRBMAPTKDM4E
SCHEMBL14907889 0.86 POLB (0.52) GRK6PIN1ALDH1A1THRBMAPT
SCHEMBL21763898 0.85 STK17B (0.48) GRK6ALDH1A1TDP1KDM4ETYMP
SCHEMBL14907821 0.85 GRK6 (0.62) GRK6ALDH1A1TDP1KDM4ETYMP
SCHEMBL18552345 0.85 GRK6 (0.45) GRK6MAP3K8ALDH1A1TDP1THRB
SCHEMBL16171184 0.84 GRK6 (0.53) GRK6PIN1ALDH1A1TDP1MAPT
SCHEMBL14907851 0.84 GRK6 (0.60) GRK6PIN1ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134390-B1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-02-26 EP disclosed
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-04-09 US disclosed
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
US-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-16 US disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO disclosed
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885PIN1 4366/4885MAP3K8 87/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT GRK6 3937/4885PIN1 2830/4885MAP3K8 3434/4885
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides GRK6, GRK2, GRK3 GRK6 1/4885PIN1 4415/4885MAP3K8 120/4885
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides GRK6, GRK2, GRK3 GRK6 1/4885PIN1 4415/4885MAP3K8 120/4885

“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.