SCHEMBL5280253

SCHEMBL5280253

COc1c(C(C)C)cc(Oc2c(Cl)cc(C(=O)O)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.56
THRA P10827 6/20 0.56
TPMT P51580 2/20 0.50
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RORC P51449 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
POLB P06746 1/20 0.38
PDK1 Q15118 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5367327 0.86 THRA (0.62) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5367322 0.86 THRA (0.62) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5278568 0.85 THRB (0.66) THRBTHRATPMTRORCALDH1A1
SCHEMBL5278329 0.85 THRB (0.41) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5964544 0.84 THRB (0.39) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5964541 0.84 THRB (0.39) THRBTHRATPMTCYP3A4CYP2C19
SCHEMBL5278322 0.84 CYP3A4 (0.44) THRBTHRACYP3A4CYP2C19RORC
SCHEMBL1190543 0.80 TPMT (0.70) TPMTMAPTALDH1A1LMNARAF1
SCHEMBL5967735 0.78 THRB (0.57) THRBTHRATPMTRORCHPGD
SCHEMBL12312830 0.77 THRA (0.50) THRBTHRATPMTCYP3A4CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862450-A2 Novel compounds KARO BIO AB (SE) 2007-12-05 EP disclosed
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 EP disclosed
US-7153997-B2 Benzamide derivatives as thyroid receptor ligands KARO BIO AB (SE) 2006-12-26 US disclosed
US-20060135614-A1 Novel compounds NORIN, THOMAS ANDERS WILSON (SE) 2006-06-22 US disclosed
EP-1537073-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2005-06-08 EP disclosed
WO-2004007430-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2004-01-22 WO 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-20060135614-A1 Novel compounds THRB, TSHR, THRA THRB 1/4885THRA 3/4885TPMT 2344/4885

“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.