SCHEMBL2897907

SCHEMBL2897907

COc1cccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc(C)c(C)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.54
PGR P06401 5/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
AR P10275 4/20 0.44

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
SCHEMBL2898877 0.91 NR3C1 (0.66) NR3C1PGRNPC1PKMRAB9A
SCHEMBL2896324 0.87 MEN1 (0.56) NR3C1NPC1PKMRAB9A
SCHEMBL2899290 0.86 NR3C1 (0.52) NR3C1PGRNPC1PKMRAB9A
SCHEMBL2898747 0.86 NR3C1 (0.58) NR3C1PGRNPC1PKMRAB9A
SCHEMBL2893909 0.85 NPC1 (0.60) NR3C1NPC1RAB9A
SCHEMBL2893280 0.84 NR3C1 (0.57) NR3C1PGRNPC1RAB9AAR
SCHEMBL2899819 0.84 NR3C1 (0.57) NR3C1PGRNPC1RAB9AAR
SCHEMBL2901509 0.83 NPC1 (0.53) NR3C1PGRNPC1PKMRAB9A
SCHEMBL12592740 0.83 NR3C1 (0.64) NR3C1PGRNPC1PKMRAB9A
SCHEMBL2896133 0.81 DCLK1 (0.53) NR3C1NPC1RAB9A

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 6 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-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-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
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
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 10/4885PGR 2096/4885NPC1 1595/4885

“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.