SCHEMBL4568144

SCHEMBL4568144

COc1ccc2c(Cc3cccc(C(=O)O)c3)c(-c3ccccc3)n(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
MRGPRX4 Q96LA9 4/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G2A P14555 1/20 0.44
ENPP2 Q13822 1/20 0.42

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
SCHEMBL4568111 0.92 MEN1 (0.48) PPARGTP53MEN1KMT2APLA2G2A
SCHEMBL4568162 0.88 MRGPRX4 (0.49) PPARGMRGPRX4
SCHEMBL15998618 0.86 ENPP2 (0.46) PPARGMRGPRX4SMN1; SMN2ENPP2
SCHEMBL4568145 0.85 ENPP2 (0.57) PPARGMRGPRX4ENPP2
SCHEMBL4568156 0.85 PPARG (0.45) PPARGSMN1; SMN2PLA2G2AENPP2
SCHEMBL4568136 0.82 MRGPRX4 (0.51) PPARGMRGPRX4MEN1KMT2A
SCHEMBL4568129 0.80 HPGD (0.45) PPARGMEN1KMT2A
SCHEMBL31744703 0.80 ALDH1A1 (0.51) PPARGTP53RXFP1MEN1KMT2A
SCHEMBL4568142 0.80 PTGER1 (0.46) MEN1KMT2AENPP2
SCHEMBL3711868 0.80 MAPK8 (0.49) PPARGMRGPRX4PLA2G2AENPP2

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 PPARG 500/4885MRGPRX4 273/4885TP53 2015/4885

“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.