SCHEMBL14907764

SCHEMBL14907764

C[S+]([O-])c1cccc(-c2nnc(SCC(=O)O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRK6 P43250 14/20 0.41
KDM4E B2RXH2 1/20 0.40
TYMP P19971 1/20 0.39
KMT2A Q03164 1/20 0.37
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
THRB P10828 1/20 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
SCHEMBL18540548 0.91 GRK6 (0.33) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL21763900 0.88 ALDH1A1 (0.40) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL21763889 0.86 GRK6 (0.36) ALDH1A1TDP1GRK6KDM4EKMT2A
SCHEMBL6405045 0.82 GRK6 (0.60) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL14907821 0.80 GRK6 (0.62) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL21763898 0.80 STK17B (0.48) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL14907851 0.79 GRK6 (0.60) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL14907836 0.79 APEX1 (0.51) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL16171157 0.79 GRK6 (0.50) ALDH1A1TDP1GRK6KDM4ETYMP
SCHEMBL15332012 0.79 ALDH1A1 (0.43) ALDH1A1TDP1GRK6KDM4ETYMP

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 4745/4885TDP1 3509/4885GRK6 1/4885
US-20140309185-A1 Inhibiting G Protein Coupled Receptor 6 Kinase Polypeptides GRK6, GRK2, GRK3 ALDH1A1 4731/4885TDP1 3105/4885GRK6 1/4885
US-10252984-B2 Inhibiting G protein coupled receptor 6 kinase polypeptides GRK6, GRK2, GRK3 ALDH1A1 4731/4885TDP1 3105/4885GRK6 1/4885

“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.