SCHEMBL5111938

SCHEMBL5111938

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
LMNA P02545 4/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.38
RAB9A P51151 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE5A O76074 1/20 0.37
TOP2A P11388 1/20 0.37
AHR P35869 1/20 0.36

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
SCHEMBL5105724 0.91 ALDH1A1 (0.47) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL5722612 0.90 THRB (0.48) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL4350313 0.90 BRD4 (0.41) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL5103931 0.89 SMN1; SMN2 (0.42) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL5108670 0.88 THRA (0.41) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL4355678 0.88 THRA (0.43) ALDH1A1THRATHRBSMN1; SMN2LMNA
SCHEMBL4928981 0.88 SMN1; SMN2 (0.41) ALDH1A1MAPK1HTTTHRATHRB
SCHEMBL4354106 0.87 THRA (0.40) ALDH1A1THRATHRBSMN1; SMN2LMNA
SCHEMBL4931330 0.86 SMN1; SMN2 (0.39) ALDH1A1THRATHRBSMN1; SMN2LMNA
SCHEMBL5116849 0.85 SMN1; SMN2 (0.38) ALDH1A1THRATHRBSMN1; SMN2LMNA

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 ALDH1A1 2530/4885MAPK1 2168/4885HTT 2575/4885

“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.