SCHEMBL4568535

SCHEMBL4568535

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3csc(Cl)c3)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGER1 P34995 3/20 0.38
CYP19A1 P11511 2/20 0.38
PTGS2 P35354 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ENPP2 Q13822 2/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37

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
SCHEMBL4568425 0.92 MAPK13 (0.38) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL3710191 0.90 PTGS2 (0.41) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568218 0.87 CYP19A1 (0.51) GPR17PTGER1CYP19A1MRGPRX4ENPP2
SCHEMBL3702535 0.87 TUBB4A (0.48) GPR17TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3716974 0.86 MAPK13 (0.52) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL3704461 0.86 GPR17 (0.44) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL3711658 0.86 TUBB4A (0.46) GPR17PTGER1PTGS2TUBB4ATUBB
SCHEMBL3704285 0.84 GPR17 (0.43) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568208 0.84 MDM4 (0.44) GPR17CYP19A1PTGS2TUBB4ATUBB
SCHEMBL4568537 0.84 MAPK13 (0.43) GPR17MAPK13MAPK12MAPK11MAPK14

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 59/4885MAPK13 3349/4885MAPK12 3318/4885

“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.