SCHEMBL18540541

SCHEMBL18540541

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.56
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
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
AMY1A P0DUB6 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL14907778 0.92 GRK6 (0.67) GRK6CSNK2A2CSNK2BCSNK2A1JUN
SCHEMBL18540537 0.88 GRK6 (0.49) GRK6AMY1A
SCHEMBL16171073 0.83 GRK6 (0.56) GRK6EGFR
SCHEMBL18540511 0.83 GRK6 (0.53) GRK6ALDH1A1AMY1AALOX5
SCHEMBL18540574 0.82 ALDH1A1 (0.39) GRK6MEN1KMT2AALDH1A1MAPT
SCHEMBL18540527 0.81 GRK6 (0.49) GRK6MEN1KMT2AALDH1A1MAPT
SCHEMBL18540594 0.81 GRK6 (0.52) GRK6CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL18540545 0.79 GRK6 (0.53) GRK6ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL14907877 0.79 GRK6 (0.61) GRK6EGFR
SCHEMBL14907891 0.78 GRK6 (0.67) GRK6MEN1KMT2AALDH1A1SMN1; SMN2

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 1/4885CSNK2A2 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.