SCHEMBL5117974

SCHEMBL5117974

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
THRA P10827 2/20 0.35
THRB P10828 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
EPHX2 P34913 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
CYP19A1 P11511 1/20 0.34
TNIK Q9UKE5 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
AR P10275 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL5115592 0.91 SMN1; SMN2 (0.38) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL5722583 0.91 THRB (0.37) THRATHRBMRGPRX4PTGDR2EPHX2
SCHEMBL4934946 0.88 SMN1; SMN2 (0.41) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL4926820 0.86 EGLN1 (0.38) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL5120197 0.86 EGLN1 (0.38) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL4931752 0.86 THRB (0.47) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL4357825 0.86 THRA (0.40) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL5117653 0.85 MEN1 (0.38) MEN1KMT2ASMN1; SMN2THRATHRB
SCHEMBL5110808 0.85 SMN1; SMN2 (0.38) EGLN1MEN1KMT2ASMN1; SMN2THRA
SCHEMBL4932995 0.85 THRB (0.39) EGLN1MEN1KMT2ASMN1; SMN2THRA

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 EGLN1 3052/4885MEN1 806/4885KMT2A 2895/4885

“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.