SCHEMBL836554

SCHEMBL836554

C[C@H](NC(=O)C(C)(C)C)[C@H](Cc1ccccc1)Oc1ccc2c(cnn2-c2ccc(F)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.74
PGR P06401 3/20 0.65
SMO Q99835 1/20 0.55

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
SCHEMBL836553 1.00 NR3C1 (0.74) NR3C1PGRSMO
SCHEMBL834681 0.93 NR3C1 (0.75) NR3C1PGR
SCHEMBL834680 0.93 NR3C1 (0.75) NR3C1PGR
SCHEMBL835456 0.89 NR3C1 (0.67) NR3C1PGR
SCHEMBL835455 0.89 NR3C1 (0.67) NR3C1PGR
SCHEMBL837739 0.85 NR3C1 (1.00) NR3C1PGR
SCHEMBL837738 0.85 NR3C1 (1.00) NR3C1PGR
SCHEMBL836856 0.84 NR3C1 (0.57) NR3C1PGR
SCHEMBL835067 0.83 NR3C1 (0.57) NR3C1PGRSMO
SCHEMBL837072 0.82 NR3C1 (0.74) NR3C1PGR

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 15 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 claimed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP claimed
US-20100197644-A1 Chemical Compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US claimed
EP-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP claimed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US claimed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO claimed
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
WO-2009142588-A1 COMBINATION OF (A) A CHEMOKINE RECEPTOR 1 (CCR1) ANTAGONIST AND (B) GLUCOCORTICOID RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
WO-2009142589-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A MUSCARINIC ANTAGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed
US-20080214641-A1 Chemical compounds 572 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 US 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 1005/4885SMO 2829/4885
US-20100197644-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885SMO 2829/4885
US-20120252770-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885SMO 2829/4885
US-20110071194-A1 Chemical Compounds 572 ABCG2, ABCB1, CYP11B2 NR3C1 2841/4885PGR 1005/4885SMO 2829/4885

“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.