SCHEMBL4895201

SCHEMBL4895201

O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
KDR P35968 2/20 0.48
AR P10275 2/20 0.47
ALOX5 P09917 2/20 0.47
MMP2 P08253 3/20 0.46
MMP9 P14780 2/20 0.46
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
MMP1 P03956 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL4887029 0.92 MMP2 (0.49) FLT1FLT4KDRARALOX5
SCHEMBL4897816 0.86 EGFR (0.57) FLT1FLT4KDRARMMP2
SCHEMBL4893079 0.83 MMP2 (0.52) FLT1FLT4KDRARMMP2
SCHEMBL5742900 0.79 CA2 (0.62) FLT1FLT4KDRALOX5MMP2
SCHEMBL4892139 0.78 THRA (0.55) ARMMP2MMP9MMP14ADAM17
SCHEMBL5744336 0.77 CA2 (0.62) FLT1FLT4KDRALOX5MMP2
SCHEMBL6469330 0.73 CA2 (0.67) FLT1FLT4KDRMMP2MMP9
SCHEMBL5742827 0.73 FLT1 (0.74) FLT1FLT4KDRMMP2MMP9
SCHEMBL5619242 0.72 THRA (0.53) THRATHRB
SCHEMBL4887098 0.71 THRA (0.69) ARESR1NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005538-B1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2006-02-28 US claimed
WO-2001036365-A2 THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-25 WO claimed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 US disclosed
EP-1729756-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2006-12-13 EP disclosed
US-7005538-B1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2006-02-28 US disclosed
US-20050267206-A1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders MALM JOHAN 2005-12-01 US disclosed
WO-2005094810-A2 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2005-10-13 WO disclosed
WO-2001036365-A2 THYROID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIAC AND METABOLIC DISORDERS KARO BIO AB (SE) 2001-05-25 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 (2 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-20050267206-A1 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders TSHR, THRB, THRA FLT1 716/4885FLT4 753/4885KDR 1017/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 FLT1 1044/4885FLT4 1496/4885KDR 1202/4885

“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.