SCHEMBL2393973

SCHEMBL2393973

COc1cc(F)ccc1-c1ccc2c(c1CNc1ccccc1SC)C(C)=CC(C)(C)N2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.47
NR3C1 P04150 10/20 0.47
AR P10275 4/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR3C2 P08235 2/20 0.39

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
SCHEMBL2393934 0.92 PGR (0.49) PGRNR3C1ARESR1ESR2
SCHEMBL449828 0.90 PGR (0.47) PGRNR3C1ARESR1ESR2
SCHEMBL451918 0.90 PGR (0.47) PGRNR3C1ARESR1ESR2
SCHEMBL2393533 0.88 NR3C1 (0.46) PGRNR3C1ARESR1ESR2
SCHEMBL2393749 0.88 NR3C1 (0.47) PGRNR3C1ARESR1ESR2
SCHEMBL2394276 0.87 PGR (0.45) PGRNR3C1ARESR1ESR2
SCHEMBL2395272 0.87 PGR (0.46) PGRNR3C1ARESR1ESR2
SCHEMBL2395632 0.87 NR3C1 (0.46) PGRNR3C1ARESR1ESR2
SCHEMBL2395435 0.87 PGR (0.45) PGRNR3C1ARESR1ESR2
SCHEMBL2391429 0.87 NR3C1 (0.46) PGRNR3C1ARESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-8420635-B2 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-8017775-B2 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-13 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
US-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity Santen Pharmaceutical Co., (JP) 2009-12-31 US disclosed
EP-1944290-A1 NOVEL 1-2-DIHYDROQUINOLINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP 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-20090326009-A1 Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, NR5A1 PGR 201/4885NR3C1 1/4885AR 116/4885
US-20110263589-A1 Method for preventing or treating a glucocorticoid receptor-related disease NR3C1, NR3C2, NR5A1 PGR 257/4885NR3C1 1/4885AR 353/4885

“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.