SCHEMBL2042973

SCHEMBL2042973

Cc1c([N+](=O)[O-])cc(Br)c(OS(=O)(=O)C(F)(F)F)c1Br

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
PTPN1 P18031 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
CCR6 P51684 1/20 0.31
EPAS1 Q99814 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL3434996 0.78 MAPT (0.43) ALDH1A1PTPN1MAPTL3MBTL1KMT2A
SCHEMBL3434140 0.78 EPAS1 (0.37) ALDH1A1TDP1TSHRPTPN1MAPT
SCHEMBL2041908 0.77 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKMT2APDE4A
SCHEMBL13735316 0.77 ALDH1A1 (0.37) ALDH1A1TDP1TSHRMAPTKMT2A
SCHEMBL700219 0.76 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1TSHRMAPT
SCHEMBL29369262 0.76 CYP1A2 (0.56) CYP1A2ALDH1A1TDP1TSHRMAPT
SCHEMBL2050119 0.76 TDP1 (0.39) CYP1A2ALDH1A1TDP1TSHRPTPN1
SCHEMBL7392580 0.73 TSHR (0.40) ALDH1A1TDP1TSHRPTPN1MAPT
SCHEMBL29051556 0.73 HSPB1 (0.38) CYP1A2ALDH1A1TDP1TSHRPTPN1
SCHEMBL15287612 0.73 ALDH1A1 (0.33) ALDH1A1EPAS1

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 8 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
WO-2003039456-A2 PROCESS FOR THE PREPARATION OF ANILINE-DERIVED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 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 (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 CYP1A2 200/4885ALDH1A1 816/4885TDP1 3223/4885
US-20090326263-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB CYP1A2 200/4885ALDH1A1 816/4885TDP1 3223/4885
US-20030157671-A1 Process for the preparation of aniline-derived thyroid receptor ligands TSHR, THRA, THRB CYP1A2 200/4885ALDH1A1 816/4885TDP1 3223/4885

“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.