SCHEMBL2901336

SCHEMBL2901336

CC(C)(C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
GSTO1 P78417 2/20 0.50
NR3C1 P04150 10/20 0.48
AR P10275 2/20 0.47
CSNK2A1 P68400 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PGR P06401 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL2898047 0.90 HDAC3 (0.53) GSTO1NR3C1ARPGRROCK2
SCHEMBL2899239 0.90 RAB9A (0.58) RAB9ANPC1GSTO1NR3C1AR
SCHEMBL2901629 0.89 RAB9A (0.59) RAB9ANPC1GSTO1NR3C1AR
SCHEMBL2899826 0.88 NR3C1 (0.61) RAB9ANPC1GSTO1NR3C1CSNK2A1
SCHEMBL12592719 0.86 RAB9A (0.56) RAB9ANPC1GSTO1NR3C1AR
SCHEMBL2901295 0.84 MEN1 (0.56) RAB9ANPC1GSTO1NR3C1CSNK2A1
SCHEMBL2901719 0.83 MEN1 (0.48) NR3C1ARPGR
SCHEMBL2899220 0.82 MEN1 (0.56) RAB9ANPC1NR3C1ARPGR
SCHEMBL2892074 0.82 NR3C1 (0.60) RAB9ANPC1NR3C1ARPGR
SCHEMBL2901438 0.82 NR3C1 (0.60) RAB9AGSTO1NR3C1ARPGR

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 RAB9A 2635/4885NPC1 1595/4885GSTO1 712/4885

“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.