SCHEMBL10331358

SCHEMBL10331358

CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC3)c(F)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ YEATS4 O95619 1/20 0.51
▸ CPS1 P31327 3/20 0.50
▸ MTOR P42345 6/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL10331353 0.98 YEATS4 (0.54) YEATS4CPS1MTORHPGDKCNH2
SCHEMBL10331348 0.96 YEATS4 (0.53) YEATS4CPS1MTORHPGDKCNH2
SCHEMBL10332046 0.84 GRIN2B (0.51) CPS1MTORHPGDKCNH2HRH3
SCHEMBL10331354 0.83 YEATS4 (0.54) YEATS4MTORHPGDKCNH2HRH3
SCHEMBL10331985 0.82 HPGD (0.53) CPS1MTORHPGDKCNH2HRH3
SCHEMBL10331987 0.81 ALDH1A1 (0.52) CPS1MTORHPGDKCNH2HRH3
SCHEMBL10331355 0.81 YEATS4 (0.57) YEATS4HPGDALDH1A1POLBHTT
SCHEMBL10331342 0.80 RARB (0.47) KDM4EKMT2A
SCHEMBL10331352 0.78 YEATS4 (0.61) YEATS4HPGDALDH1A1POLBHTT
SCHEMBL10331368 0.77 HPGD (0.41) HPGDKDM4EALDH1A1KMT2AATM

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 YEATS4 4591/4885CPS1 1594/4885MTOR 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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