SCHEMBL4931455

SCHEMBL4931455

CCC(C)Nc1cc(COc2c(Br)cc(C(=O)NCC(=O)O)cc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MRGPRX4 Q96LA9 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RHOC P08134 1/20 0.35
RHOA P61586 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PDE5A O76074 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 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
SCHEMBL4934248 0.92 THRA (0.44) THRATHRBMMEACECPA1
SCHEMBL4933436 0.91 MRGPRX4 (0.40) MMEACECPA1ACE2SMN1; SMN2
SCHEMBL4364107 0.91 THRA (0.48) THRATHRBMMEACECPA1
SCHEMBL4932371 0.88 SMN1; SMN2 (0.39) THRATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL5718096 0.87 MRGPRX4 (0.38) THRBMMEACECPA1ACE2
SCHEMBL4932888 0.87 SMN1; SMN2 (0.39) THRATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL4352280 0.87 SMN1; SMN2 (0.39) THRATHRBSMN1; SMN2MEN1KMT2A
SCHEMBL4346172 0.87 THRA (0.47) THRATHRBSMN1; SMN2MRGPRX4MEN1
SCHEMBL4924564 0.86 THRA (0.45) THRATHRBSMN1; SMN2MRGPRX4MEN1
SCHEMBL5120143 0.86 THRA (0.42) THRATHRBSMN1; SMN2MRGPRX4MEN1

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-20080221210-A1 Thyroid Receptor Agonists KARO BIO AB (SE) 2008-09-11 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-20080221210-A1 Thyroid Receptor Agonists TSHR, TRHR, THRA THRA 3/4885THRB 4/4885MME 2170/4885

“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.