SCHEMBL2050119

SCHEMBL2050119

Cc1c([N+](=O)[O-])cc(Cl)c(OS(=O)(=O)C(F)(F)F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
ALPL P05186 2/20 0.35
ALPI P09923 2/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
VCAM1 P19320 6/20 0.34
EPAS1 Q99814 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
HSD11B1 P28845 1/20 0.32
PTPN1 P18031 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
SCHEMBL7065129 0.83 ALPL (0.37) TDP1ALDH1A1TSHRALPLALPI
SCHEMBL7331747 0.81 TDP1 (0.37) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL16098766 0.79 TSHR (0.40) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL2048625 0.77 ALDH1A1 (0.47) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL7336648 0.77 CRHBP (0.40) TDP1ALDH1A1TSHRCYP3A4HPGD
SCHEMBL12584980 0.77 ALDH1A1 (0.41) TDP1ALDH1A1TSHRCYP3A4CRHBP
SCHEMBL6816439 0.76 ALDH1A1 (0.50) TDP1ALDH1A1TSHRHPGDCYP1A2
SCHEMBL2042973 0.76 CYP1A2 (0.45) TDP1ALDH1A1TSHREPAS1CYP1A2
SCHEMBL13062038 0.75 TPMT (0.47) TDP1ALDH1A1TSHRVCAM1
SCHEMBL4003073 0.74 EPAS1 (0.41) TDP1ALDH1A1TSHRCYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2005-03-10 US claimed
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2003-08-21 US claimed
US-7956214-B2 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2011-06-07 US disclosed
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands CHIDAMBARAM RAMAKRISHNAN 2009-12-31 US disclosed
US-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2005-03-10 US disclosed
US-6806381-B2 SUCH AS N-(3,5-DIBROMO-4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-PHENYL)-MALONAMIC ACID; FOR TREATMENT OF THYROID DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-10-19 US disclosed
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands KARO BIO AB (SE) 2003-08-21 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 (3 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-20050054873-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB TDP1 3223/4885ALDH1A1 816/4885TSHR 1/4885
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB TDP1 3223/4885ALDH1A1 816/4885TSHR 1/4885
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB TDP1 3223/4885ALDH1A1 816/4885TSHR 1/4885

“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.