SCHEMBL10331985

SCHEMBL10331985

CCc1ccc(-c2ccc(C(=O)N3CCCC3)c(F)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MTOR P42345 10/20 0.48
▸ GRIN2B Q13224 4/20 0.48
▸ CPS1 P31327 2/20 0.46
▸ PIK3CA P42336 4/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ GRIN1 Q05586 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL10331987 0.99 ALDH1A1 (0.52) HPGDALDH1A1MTORGRIN2BCPS1
SCHEMBL10332046 0.98 GRIN2B (0.51) HPGDALDH1A1MTORGRIN2BCPS1
SCHEMBL10331952 0.86 HPGD (0.53) HPGDALDH1A1MTORGRIN2BPIK3CA
SCHEMBL10331353 0.84 YEATS4 (0.54) HPGDALDH1A1MTORCPS1PIK3CA
SCHEMBL10331348 0.83 YEATS4 (0.53) HPGDALDH1A1MTORCPS1PIK3CA
SCHEMBL10331358 0.82 YEATS4 (0.51) HPGDALDH1A1MTORCPS1PIK3CA
SCHEMBL10331956 0.81 MEN1 (0.49) GRIN2BMEN1KMT2A
SCHEMBL10331954 0.80 HPGD (0.61) HPGDALDH1A1GRIN2BHRH3MEN1
SCHEMBL10331961 0.77 ALDH1A1 (0.57) HPGDALDH1A1GRIN2BGRIN1MEN1
SCHEMBL10332061 0.76 MTOR (0.49) MTORPIK3CATSHR

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 HPGD 3552/4885ALDH1A1 4091/4885MTOR 1418/4885

“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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