SCHEMBL4568591

SCHEMBL4568591

Cc1cc2[nH]c(C(C)(C)C)c(Cc3cccc(C(=O)O)n3)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
PTGER1 P34995 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
SCHEMBL3704395 0.90 MRGPRX4 (0.43) ENPP2MRGPRX4PTGER1
SCHEMBL4568482 0.88 PARP1 (0.46) MRGPRX4
SCHEMBL4568594 0.88 MRGPRX4 (0.44) ENPP2MRGPRX4PTGER1
SCHEMBL4568169 0.88 ENPP2 (0.41) ENPP2MRGPRX4PTGER1
SCHEMBL15998667 0.85 HCAR2 (0.36) ENPP2PTGER1
SCHEMBL4568163 0.84 ENPP2 (0.50) ENPP2MRGPRX4PTGER1
SCHEMBL4568167 0.84 PTGS2 (0.40) ENPP2PTGER1
SCHEMBL3706414 0.83 PPARG (0.43) ENPP2
SCHEMBL4568213 0.83 GPR17 (0.46) ENPP2MRGPRX4PTGER1
SCHEMBL3712703 0.82 PTGER1 (0.38) MRGPRX4PTGER1

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 ENPP2 595/4885MRGPRX4 273/4885PTGER1 1/4885

“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.