SCHEMBL5116849

SCHEMBL5116849

CCS(=O)(=O)Nc1cccc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
MRGPRX1 Q96LB2 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PDE5A O76074 1/20 0.36
HPGD P15428 4/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL5109714 0.90 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2THRATHRB
SCHEMBL4355678 0.87 THRA (0.43) SMN1; SMN2CA1CA2THRATHRB
SCHEMBL4928981 0.87 SMN1; SMN2 (0.41) SMN1; SMN2CA1CA2THRATHRB
SCHEMBL4354106 0.86 THRA (0.40) SMN1; SMN2CA1CA2THRATHRB
SCHEMBL4931330 0.85 SMN1; SMN2 (0.39) SMN1; SMN2CA1CA2THRATHRB
SCHEMBL5111938 0.85 ALDH1A1 (0.39) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL4350313 0.85 BRD4 (0.41) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL4923379 0.84 SMN1; SMN2 (0.38) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL5108670 0.83 THRA (0.41) SMN1; SMN2THRATHRBKMT2AMEN1
SCHEMBL5722524 0.83 THRA (0.40) SMN1; SMN2THRATHRBKMT2AMEN1

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 4587/4885CA1 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.