SCHEMBL443023

SCHEMBL443023

Fc1ccccc1-n1ncc2cc(I)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.47
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 1/20 0.45
NR3C1 P04150 3/20 0.43
SCN9A Q15858 7/20 0.40
HSP90AA1 P07900 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
PGR P06401 1/20 0.39
MAPK14 Q16539 1/20 0.38
USP7 Q93009 1/20 0.38
KCNN4 O15554 1/20 0.38

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
SCHEMBL29573544 0.80 SCN9A (0.49) SMOPIM1PIM3PIM2CYP11B2
SCHEMBL1135647 0.80 SCN9A (0.49) SMOPIM1PIM3PIM2CYP11B2
SCHEMBL443024 0.75 NR3C1 (0.62) SMOCYP11B2NR3C1PGR
SCHEMBL838318 0.73 SMO (0.44) SMOCYP11B2NR3C1PGR
SCHEMBL413212 0.73 IRAK4 (0.50) PIM1PIM3PIM2CYP11B2NR3C1
SCHEMBL31632927 0.72 CYP11B1 (0.48) SMOPIM1PIM3PIM2CYP11B2
SCHEMBL21057752 0.72 TSHR (0.44)
SCHEMBL4281579 0.72 NR3C1 (0.63) SMOCYP11B2CYP11B1NR3C1
SCHEMBL2499290 0.71 NR3C1 (0.56) SMOCYP11B2NR3C1PGR
SCHEMBL836103 0.70 CYP11B2 (0.47) SMOCYP11B2CYP11B1NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-101611015-B Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB SE 2012-09-26 CN disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20110071194-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-24 US disclosed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-7728030-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2010-06-01 US disclosed
CN-101611015-A Indazolyl ester and indazolyl amide derivatives for the treatment of glucocorticoid receptor mediated disorders ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO 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 (6 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-20080214641-A1 Chemical compounds 572 ABCG2, ABCB1, CYP11B2 SMO 2829/4885PIM1 1602/4885PIM3 1580/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMO 2829/4885PIM1 1602/4885PIM3 1580/4885
US-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R SMO 1239/4885PIM1 4096/4885PIM3 4438/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMO 2829/4885PIM1 1602/4885PIM3 1580/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R SMO 1311/4885PIM1 4110/4885PIM3 4442/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 SMO 2829/4885PIM1 1602/4885PIM3 1580/4885

“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.