SCHEMBL4568223

SCHEMBL4568223

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cnco3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.41
IMPDH2 P12268 8/20 0.41
PTGS2 P35354 1/20 0.37
IMPDH1 P20839 1/20 0.37
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL4568189 0.92 KDM4E (0.39) GPR17IMPDH2IMPDH1DYRK1ADYRK1B
SCHEMBL4568546 0.87 TUBB4A (0.44) GPR17PTGS2DYRK1A
SCHEMBL3702535 0.85 TUBB4A (0.48) GPR17
SCHEMBL4568219 0.84 GPR17 (0.41) GPR17PTGS2DYRK1A
SCHEMBL4568543 0.84 GPR17 (0.41) GPR17PTGS2
SCHEMBL3704461 0.84 GPR17 (0.44) GPR17
SCHEMBL3709862 0.84 KDM4E (0.52) GPR17
SCHEMBL3701562 0.83 GPR17 (0.40) GPR17PTGS2DYRK1A
SCHEMBL4568215 0.83 PTGS2 (0.41) GPR17PTGS2DYRK1A
SCHEMBL3704285 0.82 GPR17 (0.43) GPR17PTGS2DYRK1ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R GPR17 59/4885IMPDH2 3385/4885PTGS2 257/4885

“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.