SCHEMBL836029

SCHEMBL836029

Cc1cc(-n2ncc3cc(I)ccc32)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.40
PGR P06401 1/20 0.39
PPARA Q07869 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HPGD P15428 1/20 0.38
SMO Q99835 5/20 0.38
PLA2G10 O15496 1/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL836441 0.83 PLA2G10 (0.53) NR3C1PGRHPGDSMOPLA2G10
SCHEMBL836830 0.77 MAPK10 (0.48) HPGDSMOPLA2G10CYP11B1CYP11B2
SCHEMBL836030 0.76 CYP11B1 (0.56) NR3C1HPGDSMOCYP11B1CYP11B2
SCHEMBL7715 0.72 IDO1 (0.49) CSNK2A1HPGD
SCHEMBL30748562 0.72 IDO1 (0.49) CSNK2A1HPGD
SCHEMBL15826159 0.72 NR3C1 (0.51) NR3C1PGRSMO
SCHEMBL443024 0.71 NR3C1 (0.62) NR3C1PGRSMOCYP11B2
SCHEMBL836802 0.71 NPC1 (0.48) NR3C1PGRSMOCYP11B1CYP11B2
SCHEMBL1667310 0.71 PLA2G10 (0.55) NR3C1PGRHPGDSMOPLA2G10
SCHEMBL27765911 0.70 CYP11B1 (0.52) NR3C1PGRSMOCYP11B1CYP11B2

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-20120252770-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US 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-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
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 NR3C1 2841/4885PGR 1005/4885PPARA 885/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885PPARA 885/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885PPARA 885/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885PPARA 885/4885

“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.