SCHEMBL18540573

SCHEMBL18540573

CC(=O)CSc1nnc(-c2cc(C(=O)O)ccc2O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.37
POLB P06746 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL14907819 0.90 GRK6 (0.46) GRK6POLBGAAL3MBTL1HDAC6
SCHEMBL18540558 0.88 GRK6 (0.50) GRK6POLBHDAC6KDM4EKMT2A
SCHEMBL18540522 0.86 GRK6 (0.46) GRK6POLBGAAL3MBTL1HDAC6
SCHEMBL18552385 0.85 GRK6 (0.37) GRK6POLBGAAL3MBTL1HDAC6
SCHEMBL16171114 0.85 GRK6 (0.45) GRK6POLBGAAL3MBTL1HDAC6
SCHEMBL18540505 0.85 GRK6 (0.49) GRK6POLBGAAL3MBTL1HDAC6
SCHEMBL18540503 0.84 GRK6 (0.48) GRK6KDM4EMAPTKMT2AALDH1A1
SCHEMBL18540516 0.82 GRK6 (0.52) GRK6GAAHDAC6KDM4EMAPT
SCHEMBL18540530 0.80 GRK6 (0.45) GRK6POLBGAAHDAC6KDM4E
SCHEMBL18540569 0.79 NPC1 (0.45) GRK6GAAKDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885POLB 4006/4885GAA 2998/4885

“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.