SCHEMBL4933997

SCHEMBL4933997

CNc1cc(C#N)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.42
THRB P10828 9/20 0.41
THRA P10827 8/20 0.41
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 1/20 0.35
GPR35 Q9HC97 3/20 0.34
ACLY P53396 1/20 0.34

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
SCHEMBL5718139 0.90 MRGPRX4 (0.38) MRGPRX4THRBTHRAMAPT
SCHEMBL4929459 0.89 FFAR1 (0.46) MRGPRX4THRBTHRAFFAR1FFAR4
SCHEMBL5112522 0.89 MRGPRX4 (0.41) MRGPRX4THRBTHRAMAPTGPR35
SCHEMBL4932744 0.89 THRB (0.41) MRGPRX4THRBTHRAFFAR1FFAR4
SCHEMBL4931340 0.88 THRB (0.51) MRGPRX4THRBTHRA
SCHEMBL4929467 0.87 MRGPRX4 (0.40) MRGPRX4THRBTHRAMAPT
SCHEMBL5112473 0.87 THRB (0.46) MRGPRX4THRBTHRAGPR35
SCHEMBL5115981 0.86 THRA (0.47) MRGPRX4THRBTHRAGPR35
SCHEMBL4923532 0.84 THRB (0.46) MRGPRX4THRBTHRAMAPT
SCHEMBL4930880 0.84 MRGPRX4 (0.41) MRGPRX4MAPT

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.