SCHEMBL4897816

SCHEMBL4897816

O=C(NS(=O)(=O)c1ccccc1)c1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.57
ERBB2 P04626 3/20 0.57
ESR1 P03372 1/20 0.55
NR3C1 P04150 1/20 0.55
PGR P06401 1/20 0.55
NR3C2 P08235 1/20 0.55
AR P10275 1/20 0.55
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 1/20 0.52
BCL2L1 Q07817 9/20 0.52
MCL1 Q07820 9/20 0.52
FLT1 P17948 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
ADAMTS4 O75173 1/20 0.46

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
SCHEMBL4893079 0.90 MMP2 (0.52) EGFRERBB2ESR1NR3C1PGR
SCHEMBL4887029 0.88 MMP2 (0.49) EGFRERBB2ESR1NR3C1PGR
SCHEMBL4895201 0.86 FLT1 (0.48) EGFRERBB2ESR1NR3C1PGR
SCHEMBL4892139 0.85 THRA (0.55) ESR1NR3C1PGRNR3C2AR
SCHEMBL4887098 0.79 THRA (0.69) ESR1NR3C1PGRNR3C2AR
SCHEMBL6074417 0.73 MAOB (0.49) EGFRERBB2ESR1NR3C1PGR
SCHEMBL4897130 0.72 THRA (0.62) ESR1NR3C1PGRNR3C2AR
SCHEMBL4897125 0.72 THRA (0.62) ESR1NR3C1PGRNR3C2AR
SCHEMBL4896830 0.72 THRA (0.62) ESR1NR3C1PGRNR3C2AR
SCHEMBL4898980 0.71 THRA (1.00) ESR1NR3C1PGRNR3C2AR

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 EGFR 2058/4885ERBB2 378/4885ESR1 1026/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 EGFR 224/4885ERBB2 808/4885ESR1 58/4885

“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.