SCHEMBL4568167

SCHEMBL4568167

CCc1ccc2c(Cc3cccc(C(=O)O)n3)c(C(C)(C)C)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
ENPP2 Q13822 2/20 0.38
KIF11 P52732 1/20 0.38
BRD4 O60885 1/20 0.37
GPR17 Q13304 1/20 0.36
PTGER1 P34995 2/20 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
SCHEMBL4568119 0.90 PARP1 (0.42) PTGS2KIF11BRD4
SCHEMBL4568169 0.87 ENPP2 (0.41) ENPP2PTGER1
SCHEMBL4568163 0.86 ENPP2 (0.50) ENPP2PTGER1
SCHEMBL15998686 0.85 MRGPRX4 (0.40) ENPP2GPR17PTGER1
SCHEMBL4568157 0.84 KIF11 (0.42) PTGS2KIF11BRD4GPR17
SCHEMBL4568213 0.84 GPR17 (0.46) PTGS2ENPP2GPR17PTGER1
SCHEMBL4568591 0.84 ENPP2 (0.42) ENPP2PTGER1
SCHEMBL4568592 0.82 ENPP2 (0.39) ENPP2PTGER1
SCHEMBL15998667 0.80 HCAR2 (0.36) ENPP2PTGER1
SCHEMBL4568165 0.79 GPR17 (0.43) PTGS2KIF11GPR17

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 3 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
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 PTGS2 257/4885ENPP2 595/4885KIF11 3272/4885

“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.