SCHEMBL3701562

SCHEMBL3701562

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cncs3)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.40
PTGS2 P35354 1/20 0.37
DYRK1A Q13627 2/20 0.36
ENPP2 Q13822 1/20 0.36
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 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
SCHEMBL4568205 0.90 MAPT (0.40) DYRK1AHSD17B10KDM4EALDH1A1HPGD
SCHEMBL3712244 0.87 GPR17 (0.41) GPR17PTGS2KDM4EALDH1A1HPGD
SCHEMBL4568228 0.86 GPR17 (0.42) GPR17PTGS2DYRK1AENPP2KDM4E
SCHEMBL4568230 0.85 PTGS2 (0.40) GPR17PTGS2DYRK1AENPP2KDM4E
SCHEMBL3702535 0.84 TUBB4A (0.48) GPR17HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4568543 0.84 GPR17 (0.41) GPR17PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL4568208 0.83 MDM4 (0.44) GPR17PTGS2HSD17B10KDM4EALDH1A1
SCHEMBL3704461 0.83 GPR17 (0.44) GPR17MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568223 0.83 GPR17 (0.41) GPR17PTGS2DYRK1A
SCHEMBL3709862 0.83 KDM4E (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
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
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 59/4885PTGS2 257/4885DYRK1A 920/4885

“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.