SCHEMBL5115981

SCHEMBL5115981

CC(C)C(=O)Nc1cc(C#N)cc(COc2c(Cl)cc(CC(=O)O)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 10/20 0.47
THRB P10828 10/20 0.47
MRGPRX4 Q96LA9 2/20 0.39
RORC P51449 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37
PTGER1 P34995 1/20 0.36
MCL1 Q07820 1/20 0.36
GPR35 Q9HC97 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5723352 0.91 THRA (0.41) THRATHRBMRGPRX4RORCKMT2A
SCHEMBL5119314 0.90 FFAR1 (0.42) THRATHRBMRGPRX4RORCKMT2A
SCHEMBL5110385 0.90 THRB (0.47) THRATHRBKMT2AMEN1SENP5
SCHEMBL5112522 0.88 MRGPRX4 (0.41) THRATHRBMRGPRX4RORCKMT2A
SCHEMBL5112473 0.86 THRB (0.46) THRATHRBMRGPRX4RORCKMT2A
SCHEMBL5110974 0.86 THRA (0.51) THRATHRBKMT2AMEN1SENP5
SCHEMBL4933997 0.86 MRGPRX4 (0.42) THRATHRBMRGPRX4GPR35
SCHEMBL5106743 0.85 KMT2A (0.39) THRATHRBMRGPRX4RORCKMT2A
SCHEMBL5104963 0.85 THRA (0.50) THRATHRBKMT2AMEN1SENP5
SCHEMBL4932744 0.84 THRB (0.41) THRATHRBMRGPRX4

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 THRA 3/4885THRB 4/4885MRGPRX4 116/4885

“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.