SCHEMBL14907778

SCHEMBL14907778

COc1cc(-c2nnc(SCC(=O)O)[nH]2)cc([N+](=O)[O-])c1O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 12/20 0.67
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
JUN P05412 1/20 0.39
TTR P02766 1/20 0.38
ALOX5 P09917 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
AMY1A P0DUB6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL18540541 0.92 GRK6 (0.56) GRK6CSNK2A2CSNK2BCSNK2A1JUN
SCHEMBL16171073 0.92 GRK6 (0.56) GRK6
SCHEMBL14907877 0.88 GRK6 (0.61) GRK6
SCHEMBL14907891 0.86 GRK6 (0.67) GRK6MEN1ALDH1A1KMT2A
SCHEMBL18540616 0.84 GRK6 (0.54) GRK6ALDH1A1
SCHEMBL14907840 0.83 GRK6 (0.65) GRK6
SCHEMBL14907809 0.82 GRK6 (0.48) GRK6MEN1ALDH1A1KMT2A
SCHEMBL14907962 0.81 GRK6 (0.67) GRK6MEN1ALDH1A1KMT2AAMY1A
SCHEMBL14907788 0.81 GRK6 (0.61) GRK6ALDH1A1
SCHEMBL16171072 0.81 GRK6 (0.49) GRK6ALDH1A1

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 3 patents. 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
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
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 (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 1/4885CSNK2A2 372/4885CSNK2B 412/4885

“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.