SCHEMBL443587

SCHEMBL443587

Fc1ccc(-n2ncc3c(I)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP17A1 P05093 1/20 0.54
CCR1 P32246 10/20 0.47
NR3C1 P04150 8/20 0.44
PGR P06401 2/20 0.44

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
SCHEMBL443252 0.83 CCR1 (0.46) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL303982 0.82 CYP17A1 (0.56) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL441028 0.81 CYP1A2 (0.54) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL4113695 0.81 CYP17A1 (0.54) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL4123716 0.78 CYP17A1 (0.55) CYP1A2CYP17A1CCR1NR3C1
SCHEMBL1135201 0.76 CCR1 (0.61) CYP1A2CYP17A1CCR1
SCHEMBL13621764 0.76 CCR1 (0.55) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL13621760 0.75 CCR1 (0.54) CYP1A2CYP17A1CCR1NR3C1PGR
SCHEMBL1136002 0.75 CCR1 (0.60) CYP1A2CYP17A1CCR1NR3C1
SCHEMBL4106108 0.75 ALDH1A1 (0.54) CYP1A2CYP17A1CCR1NR3C1

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
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
CN-101646654-B Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB 2012-03-28 CN disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
CN-101646654-A Indazolyl sulfonamide derivatives useful as glucocorticoid modulators ASTRAZENECA AB SE 2010-02-10 CN disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R CYP1A2 221/4885CYP17A1 30/4885CCR1 261/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R CYP1A2 226/4885CYP17A1 31/4885CCR1 263/4885

“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.