SCHEMBL10332059

SCHEMBL10332059

CCc1ccc(-c2ccc(C(=O)N(C)CC)c(F)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.43
▸ MTOR P42345 10/20 0.40
▸ PIK3CA P42336 9/20 0.40
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ CTSC P53634 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL10331367 0.86 NR3C1 (0.40) GRIN2BMTORPIK3CANR3C1PGR
SCHEMBL10332009 0.84 TP53 (0.42) GRIN2BMTORPIK3CACTSKCTSC
SCHEMBL10331956 0.83 MEN1 (0.49) GRIN2BCTSKCTSCMEN1NPC1
SCHEMBL10332013 0.79 HDAC4 (0.46) GRIN2BGRIN1MEN1NPC1RAB9A
SCHEMBL10331985 0.76 HPGD (0.53) GRIN2BMTORPIK3CAGRIN1MEN1
SCHEMBL10332046 0.76 GRIN2B (0.51) GRIN2BMTORPIK3CAGRIN1MEN1
SCHEMBL10331987 0.75 ALDH1A1 (0.52) GRIN2BMTORPIK3CAGRIN1
SCHEMBL12673350 0.75 HSD17B1 (0.50) GRIN2BCTSKCTSCMEN1NPC1
SCHEMBL10331963 0.73 SMN1; SMN2 (0.42) GRIN2BMTORPIK3CAMEN1NPC1
SCHEMBL15218738 0.73 CES2 (0.53) KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 — — 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA GRIN2B 440/4885MTOR 1418/4885PIK3CA 3468/4885

“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.

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