SCHEMBL3594438

SCHEMBL3594438

CC(C)CC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)NC(C)CO

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.81
PGR P06401 1/20 0.50
SMO Q99835 2/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL3594434 1.00 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3599709 1.00 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3586264 0.94 NR3C1 (0.80) NR3C1PGRSMO
SCHEMBL9913452 0.94 NR3C1 (0.80) NR3C1PGRSMO
SCHEMBL3591409 0.93 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3589015 0.93 NR3C1 (0.84) NR3C1PGRSMOMAPK1
SCHEMBL3579360 0.92 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3594132 0.92 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3579358 0.92 NR3C1 (0.81) NR3C1PGRSMOMAPK1
SCHEMBL3591901 0.91 NR3C1 (0.88) NR3C1PGRSMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 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 (1 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NR3C1 5/4885PGR 1720/4885SMO 1265/4885

“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.