SCHEMBL10331352

SCHEMBL10331352

CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCCC3)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YEATS4 O95619 1/20 0.61
▸ HPGD P15428 9/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ SLC6A7 Q99884 2/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ FASN P49327 1/20 0.47
▸ MLYCD O95822 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44

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
SCHEMBL10331355 0.97 YEATS4 (0.57) YEATS4HPGDMAPK1ALDH1A1MEN1
SCHEMBL12529439 0.88 HPGD (0.51) YEATS4HPGDALDH1A1MEN1KMT2A
SCHEMBL10331366 0.86 SLC6A7 (0.46) YEATS4HPGDMAPK1ALDH1A1MEN1
SCHEMBL10331356 0.81 NAMPT (0.47) YEATS4HPGDALDH1A1MEN1KMT2A
SCHEMBL10331354 0.81 YEATS4 (0.54) YEATS4HPGDALDH1A1MEN1KMT2A
SCHEMBL10331353 0.81 YEATS4 (0.54) YEATS4HPGDALDH1A1KMT2APOLB
SCHEMBL10331954 0.81 HPGD (0.61) HPGDMAPK1ALDH1A1MEN1KMT2A
SCHEMBL10331348 0.80 YEATS4 (0.53) YEATS4HPGDALDH1A1MEN1KMT2A
SCHEMBL10331358 0.78 YEATS4 (0.51) YEATS4HPGDALDH1A1MEN1KMT2A
SCHEMBL10331961 0.78 ALDH1A1 (0.57) HPGDMAPK1ALDH1A1MEN1KMT2A

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 4591/4885HPGD 3552/4885MAPK1 1128/4885

“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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