SCHEMBL441916

SCHEMBL441916

Fc1ccc(-n2ncc3c(Br)cccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 8/20 0.46
NR3C1 P04150 3/20 0.43
CYP17A1 P05093 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
PGR P06401 1/20 0.37
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
SCN9A Q15858 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL441028 0.83 CYP1A2 (0.54) CCR1NR3C1CYP17A1CYP1A2PGR
SCHEMBL443252 0.82 CCR1 (0.46) CCR1NR3C1CYP17A1CYP1A2CYP3A4
SCHEMBL4572945 0.82 MKNK1 (0.47) CCR1NR3C1CYP17A1CYP1A2CYP3A4
SCHEMBL1255335 0.78 CCR1 (0.58) CCR1NR3C1CYP11B2
SCHEMBL4126308 0.77 MAPT (0.50) NR3C1CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL27837486 0.77 CYP1A2 (0.39) CCR1CYP17A1CYP1A2CYP11B1CYP11B2
SCHEMBL4573040 0.77 CCR1 (0.45) CCR1NR3C1CYP17A1CYP1A2CYP3A4
SCHEMBL17238733 0.76 CYP11B2 (0.48) NR3C1CYP17A1CYP1A2CYP3A4CYP2C9
SCHEMBL29582723 0.75 NR3C1 (0.46) CCR1NR3C1PGRCYP11B1CYP11B2
SCHEMBL4112054 0.75 SCN9A (0.41) CCR1NR3C1CYP17A1CYP1A2CYP3A4

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
US-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor BENGTSSON MALENA 2009-07-02 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2007114763-A1 SULPHONAMIDE DERIVATES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR ASTRAZENECA AB (SE) 2007-10-11 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-20090170898-A1 Sulphonamide Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 CCR1 870/4885NR3C1 1/4885CYP17A1 109/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R CCR1 261/4885NR3C1 1/4885CYP17A1 30/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R CCR1 263/4885NR3C1 1/4885CYP17A1 31/4885

“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.