SCHEMBL2901119

SCHEMBL2901119

CC(C)CC(c1ccc(-c2ccc3c(c2)CCO3)cc1)C(C)(C)C(=O)Nc1nncs1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.41
PGR P06401 3/20 0.41
AR P10275 2/20 0.40
CLK1 P49759 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37

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
SCHEMBL2900040 0.84 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2898787 0.82 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2901819 0.82 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2899518 0.82 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2901081 0.81 NR3C1 (0.55) NR3C1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL2893963 0.80 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2900926 0.80 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2893413 0.80 NR3C1 (0.54) NR3C1NPC1RAB9ASMN1; SMN2PGR
SCHEMBL2898906 0.80 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2901362 0.80 NR3C1 (0.54) NR3C1PGRAR

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-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA NR3C1 10/4885NPC1 1595/4885RAB9A 2635/4885

“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.