SCHEMBL19469460

SCHEMBL19469460

C[C@@]1(C(=O)O)CCc2cc(Cl)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.46
PPARD Q03181 4/20 0.44
PPARG P37231 10/20 0.44
SRD5A1 P18405 2/20 0.42
SRD5A2 P31213 2/20 0.42
RXRA P19793 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX2 P34913 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
SCHEMBL19469595 1.00 PPARA (0.46) PPARAPPARDPPARGSRD5A1SRD5A2
SCHEMBL19469681 1.00 PPARA (0.46) PPARAPPARDPPARGSRD5A1SRD5A2
SCHEMBL8653315 0.87 AKT1 (0.50) PPARAPPARDPPARGRXRA
SCHEMBL19469478 0.85 PPARA (0.48) PPARASRD5A1SRD5A2CYP2D6CYP2C9
SCHEMBL29495290 0.85 PPARA (0.48) PPARASRD5A1SRD5A2CYP2D6CYP2C9
SCHEMBL29495503 0.85 PPARA (0.48) PPARASRD5A1SRD5A2CYP2D6CYP2C9
SCHEMBL19469461 0.85 PPARA (0.48) PPARASRD5A1SRD5A2CYP2D6CYP2C9
SCHEMBL19469463 0.85 PPARA (0.48) PPARASRD5A1SRD5A2CYP2D6CYP2C9
SCHEMBL19469539 0.85 GAA (0.39) PPARAPPARDPPARGSRD5A1SRD5A2
SCHEMBL22798929 0.82 PPARA (0.44) PPARAPPARDPPARGSRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219602-A Modulators of cystic fibrosis transmembrane conductance regulator proteins 艾伯维公司 2019-01-15 CN disclosed
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein ABBVIE S.Á.R.L. (LU) 2018-11-06 US disclosed
WO-2017187321-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AbbVie S.à.r.l. (LU) 2017-11-02 WO disclosed
US-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN ABBVIE S.Á.R.L. (LU) 2017-10-26 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 (2 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-20170305891-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN CFTR, CHRM2, CHRM1 PPARA 2278/4885PPARD 1813/4885PPARG 1217/4885
US-10118916-B2 Modulators of cystic fibrosis transmembrane conductance regulator protein CFTR, CHRM2, CHRM1 PPARA 2278/4885PPARD 1813/4885PPARG 1217/4885

“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.