SCHEMBL18540545

SCHEMBL18540545

COc1cc(-c2nnc(SCC(C)=O)[nH]2)cc(O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 5/20 0.53
BRD4 O60885 1/20 0.38
TPMT P51580 1/20 0.38
TP53 P04637 2/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP1 P09874 1/20 0.35
GCGR P47871 1/20 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
SCHEMBL18540527 0.93 GRK6 (0.49) GRK6TP53MAPTPOLBALDH1A1
SCHEMBL14907854 0.91 GRK6 (0.64) GRK6BRD4TPMTTP53ALDH1A1
SCHEMBL18540537 0.88 GRK6 (0.49) GRK6LMNA
SCHEMBL18540542 0.85 GRK6 (0.52) GRK6MAPTALDH1A1MAPK1PARP1
SCHEMBL14907788 0.83 GRK6 (0.61) GRK6TP53MAPTPOLBALDH1A1
SCHEMBL18540511 0.83 GRK6 (0.53) GRK6ALDH1A1
SCHEMBL18540521 0.80 GRK6 (0.47) GRK6TP53MAPTPOLBALDH1A1
SCHEMBL18540541 0.79 GRK6 (0.56) GRK6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28508948 0.79 KDM4E (0.53) GRK6TP53MAPTPOLBALDH1A1
SCHEMBL18540515 0.79 GRK6 (0.53) GRK6TP53MAPTALDH1A1SMN1; 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 1/4885BRD4 842/4885TPMT 2332/4885

“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.