SCHEMBL5113399

SCHEMBL5113399

CS(=O)(=O)Nc1cc(Cl)cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
DDR1 Q08345 2/20 0.33
BRAF P15056 2/20 0.33
MAPK14 Q16539 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP4 P15090 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GPR139 Q6DWJ6 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
THRA P10827 1/20 0.32

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
SCHEMBL5103319 0.91 ACLY (0.37) ACLYCA1CA2DDR1MEN1
SCHEMBL5106726 0.90 NR3C1 (0.34) ACLYCA1CA2MEN1KMT2A
SCHEMBL5110782 0.90 CA1 (0.37) ACLYCA1CA2DDR1MEN1
SCHEMBL4922427 0.88 SMN1; SMN2 (0.36) ACLYCA1CA2MEN1KMT2A
SCHEMBL4934502 0.87 GPR139 (0.37) ACLYCA1CA2MEN1KMT2A
SCHEMBL4927472 0.86 SMN1; SMN2 (0.36) ACLYCA1CA2DDR1MEN1
SCHEMBL5109270 0.86 HPGD (0.38) ACLYCA1CA2BRAFMEN1
SCHEMBL5104790 0.86 BRD4 (0.36) ACLYCA1CA2MEN1KMT2A
SCHEMBL4922926 0.86 SMN1; SMN2 (0.38) ACLYCA1CA2DDR1MEN1
SCHEMBL5107954 0.85 THRA (0.38) ACLYCA1CA2MEN1KMT2A

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 ACLY 3371/4885CA1 2850/4885CA2 1331/4885

“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.