SCHEMBL5120428

SCHEMBL5120428

COc1cccc(CC(=O)O)c1OCCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(OC(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.58
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLKB1 P03952 2/20 0.40
TSHR P16473 2/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 3/20 0.38
RIPK1 Q13546 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 2/20 0.36
NPC1 O15118 1/20 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
SCHEMBL5115472 0.96 PPARG (0.59) PPARGTP53SMN1; SMN2KLKB1TSHR
SCHEMBL5113109 0.94 PPARG (0.51) PPARGTP53SMN1; SMN2KLKB1TSHR
SCHEMBL5121631 0.92 PPARG (0.48) PPARGSMN1; SMN2TSHRRECQLEPHX2
SCHEMBL5113135 0.87 PPARG (0.45) PPARGTP53SMN1; SMN2KLKB1TSHR
SCHEMBL5110656 0.83 EPHX2 (0.42) PPARGSMN1; SMN2TSHRRECQLMEN1
SCHEMBL5112185 0.81 EPHX2 (0.43) PPARGTSHRRECQLMAPTMEN1
SCHEMBL5110205 0.81 TSHR (0.44) PPARGTSHRRECQLEPHX2P2RX7
SCHEMBL5113934 0.79 PPARG (0.52) PPARGTP53SMN1; SMN2TSHRMAPT
SCHEMBL5121206 0.79 TSHR (0.45) PPARGTSHRRECQLEPHX2P2RX7
SCHEMBL5106751 0.78 TSHR (0.43) PPARGTSHRRECQLEPHX2P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885TP53 4637/4885SMN1; SMN2 3876/4885

“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.