SCHEMBL4929467

SCHEMBL4929467

CCCNc1cc(C#N)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.40
THRB P10828 12/20 0.39
THRA P10827 10/20 0.39
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
PPARD Q03181 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 1/20 0.33
RXRG P48443 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
SCHEMBL4932744 0.91 THRB (0.41) MRGPRX4THRBTHRATP53GAA
SCHEMBL5717874 0.91 MRGPRX4 (0.36) MRGPRX4THRBTHRAS1PR2S1PR1
SCHEMBL4929246 0.90 THRA (0.45) MRGPRX4THRBTHRA
SCHEMBL4930926 0.89 THRB (0.50) MRGPRX4THRBTHRA
SCHEMBL4933997 0.87 MRGPRX4 (0.42) MRGPRX4THRBTHRAMAPT
SCHEMBL4925262 0.85 THRB (0.42) MRGPRX4THRBTHRAS1PR2S1PR1
SCHEMBL5112473 0.85 THRB (0.46) MRGPRX4THRBTHRA
SCHEMBL4929539 0.85 MRGPRX4 (0.39) MRGPRX4GAAMAPT
SCHEMBL5112522 0.85 MRGPRX4 (0.41) MRGPRX4THRBTHRAMAPT
SCHEMBL4932176 0.84 THRB (0.41) MRGPRX4THRBTHRAS1PR2S1PR1

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-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA MRGPRX4 119/4885THRB 4/4885THRA 3/4885

“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.