SCHEMBL2898747

SCHEMBL2898747

COc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C)c(C)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.58
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
FFAR2 O15552 1/20 0.45
ATAD2 Q6PL18 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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 0.96 NR3C1 (0.66) NR3C1NPC1RAB9APKMPGR
SCHEMBL2895656 0.86 NR3C1 (0.56) NR3C1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2897907 0.86 NR3C1 (0.54) NR3C1NPC1RAB9APKMPGR
SCHEMBL2900545 0.85 NR3C1 (0.48) NR3C1NPC1RAB9AFFAR2PKM
SCHEMBL2901518 0.85 RXFP1 (0.65) NR3C1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12592740 0.82 NR3C1 (0.64) NR3C1NPC1RAB9APKMRXFP1
SCHEMBL2900944 0.81 NPC1 (0.60) NR3C1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2901509 0.81 NPC1 (0.53) NR3C1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2893268 0.81 NR3C1 (0.61) NR3C1NPC1RAB9ASMN1; SMN2FFAR2
SCHEMBL2898724 0.81 NR3C1 (0.61) NR3C1NPC1RAB9AMAPTSMN1; SMN2

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 10/4885NPC1 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.