SCHEMBL3547232

SCHEMBL3547232

CCS(=O)(=O)c1ccc(Oc2cc(C#Cc3ccccn3)c(N)cc2Oc2cccnc2OC(F)F)cn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
MET P08581 1/20 0.31
CYP3A4 P08684 1/20 0.31
DRD1 P21728 1/20 0.30

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
SCHEMBL3539954 0.88 ALDH1A1 (0.34) TRPV4
SCHEMBL2644790 0.88 TRPV4 (0.37) TRPV4DRD1
SCHEMBL2645022 0.79 TRPV4 (0.39) TRPV4DRD1
SCHEMBL3545385 0.76 GCK (0.35)
SCHEMBL2644544 0.76 TRPV4 (0.39) TRPV4DRD1
SCHEMBL3544379 0.76 GCK (0.49)
SCHEMBL3551372 0.75 MET (0.32) METCYP3A4
SCHEMBL3544559 0.75 ALDH1A1 (0.37) TRPV4DRD1
SCHEMBL2643839 0.74 GCK (0.50)
SCHEMBL2647146 0.74 BACE1 (0.34)

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 4 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 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
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 EP 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 TRPV4 2723/4885MET 1492/4885CYP3A4 336/4885

“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.