SCHEMBL5115592

SCHEMBL5115592

CCS(=O)(=O)Nc1cc(C#N)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
THRB P10828 4/20 0.37
THRA P10827 3/20 0.37
EGLN1 Q9GZT9 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
FLT1 P17948 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
PDE5A O76074 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
SCHEMBL5117974 0.91 EGLN1 (0.37) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4931752 0.87 THRB (0.47) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4926820 0.87 EGLN1 (0.38) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4934946 0.87 SMN1; SMN2 (0.41) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4523210 0.86 SMN1; SMN2 (0.40) SMN1; SMN2THRBTHRAMEN1KMT2A
SCHEMBL5119167 0.86 SMN1; SMN2 (0.40) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4923977 0.86 SMN1; SMN2 (0.37) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL5110808 0.86 SMN1; SMN2 (0.38) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL4932995 0.86 THRB (0.39) SMN1; SMN2THRBTHRAEGLN1MEN1
SCHEMBL5119983 0.85 SMN1; SMN2 (0.39) SMN1; SMN2THRBTHRAMEN1KMT2A

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 SMN1; SMN2 4587/4885THRB 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.