SCHEMBL3710309

SCHEMBL3710309

COc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3cncc(F)c3)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
CYP19A1 P11511 4/20 0.42
GPR17 Q13304 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 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
SCHEMBL4568433 0.92 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568543 0.92 GPR17 (0.41) CYP19A1GPR17KDM4EALDH1A1HPGD
SCHEMBL3712236 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3711070 0.89 CYP19A1 (0.51) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3704285 0.88 GPR17 (0.43) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL4568537 0.88 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3709862 0.88 KDM4E (0.52) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3702535 0.87 TUBB4A (0.48) GPR17KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3711669 0.86 CYP19A1 (0.42) MAPK13MAPK12MAPK11MAPK14CYP19A1
SCHEMBL3704461 0.86 GPR17 (0.44) MAPK13MAPK12MAPK11MAPK14GPR17

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 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.