SCHEMBL2895656

SCHEMBL2895656

Cc1nc(NC(=O)C(C)(C)C(c2ccc(O)cc2)c2ccc(O)cc2)sc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.56
PGR P06401 4/20 0.56
AR P10275 3/20 0.56
FFAR2 O15552 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL12592740 0.95 NR3C1 (0.64) NR3C1PGRARRAB9ANPC1
SCHEMBL2900545 0.89 NR3C1 (0.48) NR3C1PGRARFFAR2RAB9A
SCHEMBL2898747 0.86 NR3C1 (0.58) NR3C1PGRARFFAR2RAB9A
SCHEMBL2899290 0.85 NR3C1 (0.52) NR3C1PGRARRAB9ANPC1
SCHEMBL2899746 0.83 NPC1 (0.51) NR3C1PGRARRAB9ANPC1
SCHEMBL2898877 0.83 NR3C1 (0.66) NR3C1PGRARRAB9ANPC1
SCHEMBL2900246 0.82 ALDH1A1 (0.55) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL2896351 0.80 NR3C1 (0.59) NR3C1PGRARFFAR2RAB9A
SCHEMBL2895557 0.80 NR3C1 (0.59) NR3C1PGRARFFAR2RAB9A
SCHEMBL2895551 0.79 NR3C1 (0.58) NR3C1PGRARFFAR2RAB9A

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 2096/4885AR 113/4885

“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.