SCHEMBL3548823

SCHEMBL3548823

CS(=O)(=O)c1ccc(Oc2cc(Oc3ccccc3F)c3[nH]c(-c4cnccn4)cc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.49
BRD4 O60885 3/20 0.35
IKBKB O14920 1/20 0.35
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
SCN9A Q15858 1/20 0.34
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
SCD O00767 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL3551288 0.91 GCK (0.40) GCKBRD4PRKDCATMATR
SCHEMBL3543269 0.90 GCK (0.51) GCKBRD4IKBKBSCN9ASCD
SCHEMBL3545475 0.83 GCK (0.37) GCKBRD4
SCHEMBL4792735 0.78 GCK (0.38) GCK
SCHEMBL2645745 0.77 GCK (0.53) GCKSCD
SCHEMBL2645485 0.73 CBFB (0.50) GCKSCD
SCHEMBL3547782 0.73 GCK (0.48) GCKBRD4
SCHEMBL2644558 0.73 DHODH (0.40) GCKBRD4ATRSCD
SCHEMBL3547771 0.69 GCK (0.41) GCK
SCHEMBL2645048 0.69 GCK (0.37) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP claimed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US claimed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 US claimed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP claimed
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 EP disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK GCK 3/4885BRD4 323/4885IKBKB 499/4885

“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.