SCHEMBL2896337

SCHEMBL2896337

CC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.62
KDR P35968 1/20 0.59
FFAR2 O15552 1/20 0.57
PGR P06401 2/20 0.56
AR P10275 2/20 0.56
GSTO1 P78417 1/20 0.55
CCNE1 P24864 1/20 0.54
CDK2 P24941 1/20 0.54
CDK5 Q00535 1/20 0.54
SCD O00767 1/20 0.54
ACP1 P24666 1/20 0.52
CNR1 P21554 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51

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
SCHEMBL2898767 0.86 NR3C1 (0.63) NR3C1PGRAR
SCHEMBL2899712 0.85 NR3C1 (0.62) NR3C1FFAR2PGRAR
SCHEMBL2892911 0.81 NR3C1 (0.67) NR3C1PGRAR
SCHEMBL2896252 0.81 NR3C1 (0.67) NR3C1PGRAR
SCHEMBL2895311 0.81 NR3C1 (0.67) NR3C1PGRAR
SCHEMBL21962874 0.81 KDR (0.60) KDRFFAR2GSTO1CCNE1CDK2
SCHEMBL2896698 0.80 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL25682655 0.80 KDR (0.67) KDRFFAR2GSTO1CCNE1CDK2
SCHEMBL2892008 0.78 NR3C1 (0.69) NR3C1PGRAR
SCHEMBL2901698 0.78 NR3C1 (0.60) 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 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 10/4885KDR 4313/4885FFAR2 285/4885

“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.