SCHEMBL5115586

SCHEMBL5115586

CS(=O)(=O)Nc1cc(COc2c(Cl)cc(CC(F)C(=O)O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.38
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
PPARG P37231 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
TRPV1 Q8NER1 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
MCTS1 Q9ULC4 1/20 0.34
PPARD Q03181 1/20 0.34
FFAR1 O14842 1/20 0.34
KIF11 P52732 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5118715 0.91 MME (0.39) MRGPRX4MMEACECPA1ACE2
SCHEMBL5110410 0.90 THRA (0.43) MRGPRX4EPHX2NR1H4MMEACE
SCHEMBL5722597 0.89 THRA (0.35) MRGPRX4EPHX2NR1H4MMEACE
SCHEMBL4931731 0.88 MRGPRX4 (0.40) MRGPRX4MMEACECPA1ACE2
SCHEMBL5107563 0.88 FFAR1 (0.38) MRGPRX4TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL5117669 0.87 FFAR1 (0.37) MRGPRX4SLC16A3SLC16A1MCTS1FFAR1
SCHEMBL4934146 0.86 MME (0.40) MRGPRX4MMEACECPA1ACE2
SCHEMBL4931145 0.86 MME (0.40) MRGPRX4MMEACECPA1ACE2
SCHEMBL5110521 0.86 MRGPRX4 (0.39) MRGPRX4MMEACECPA1ACE2
SCHEMBL5109829 0.86 PPARD (0.44) MRGPRX4EPHX2NR1H4PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor KARO BIO AB (SE) 2008-01-03 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-20080004251-A1 Novel Pharmaceutical Compositions Comprising Agonists of the Thyroid Receptor TSHR, TRHR, THRA MRGPRX4 116/4885EPHX2 1884/4885NR1H4 137/4885

“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.