SCHEMBL3711070

SCHEMBL3711070

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
MAPK13 O15264 2/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK14 Q16539 2/20 0.48
GPR17 Q13304 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41

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
SCHEMBL3702535 0.92 TUBB4A (0.48) GPR17TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3711669 0.92 CYP19A1 (0.42) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3712236 0.92 MAPK13 (0.52) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568179 0.92 CYP19A1 (0.50) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568208 0.91 MDM4 (0.44) CYP19A1GPR17TUBB4ATUBBTUBA3C
SCHEMBL3704285 0.91 GPR17 (0.43) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL3706168 0.91 CYP19A1 (0.41) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568218 0.91 CYP19A1 (0.51) CYP19A1GPR17TUBB4ATUBBTUBA3C
SCHEMBL3704461 0.89 GPR17 (0.44) MAPK13MAPK12MAPK11MAPK14GPR17
SCHEMBL4568537 0.89 MAPK13 (0.43) CYP19A1MAPK13MAPK12MAPK11MAPK14

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 6 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-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 CYP19A1 1262/4885MAPK13 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.