SCHEMBL4568537

SCHEMBL4568537

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cc(F)cc(Cl)c3)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.43
MAPK12 P53778 3/20 0.43
MAPK11 Q15759 3/20 0.43
MAPK14 Q16539 3/20 0.43
CYP19A1 P11511 4/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
GPR17 Q13304 1/20 0.40
ENPP2 Q13822 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38

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
SCHEMBL4568430 0.92 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3716974 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3712236 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3711070 0.89 CYP19A1 (0.51) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568218 0.89 CYP19A1 (0.51) CYP19A1MRGPRX4GPR17ENPP2TUBB4A
SCHEMBL4568229 0.89 CYP19A1 (0.41) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3711669 0.88 CYP19A1 (0.42) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3704285 0.88 GPR17 (0.43) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3710309 0.88 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3702535 0.87 TUBB4A (0.48) GPR17TUBB4ATUBBTUBA3CTUBA1B

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 MAPK13 3349/4885MAPK12 3318/4885MAPK11 1929/4885

“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.