SCHEMBL10331366

SCHEMBL10331366

CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 2/20 0.46
▸ YEATS4 O95619 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ FASN P49327 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ABL1 P00519 4/20 0.41
▸ BCR P11274 4/20 0.41
▸ HPGD P15428 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ LIPC P11150 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39

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
SCHEMBL10331356 0.93 NAMPT (0.47) SLC6A7YEATS4JAK2JAK1JAK3
SCHEMBL10331352 0.86 YEATS4 (0.61) SLC6A7YEATS4FASNMEN1ALDH1A1
SCHEMBL10331355 0.86 YEATS4 (0.57) SLC6A7YEATS4FASNMEN1ALDH1A1
SCHEMBL14207505 0.84 SLC6A7 (0.61) SLC6A7JAK2JAK1JAK3ALDH1A1
SCHEMBL10332010 0.83 ALDH1A1 (0.45) SLC6A7JAK2JAK1JAK3MEN1
SCHEMBL12529439 0.82 HPGD (0.51) SLC6A7YEATS4MEN1ALDH1A1HTT
SCHEMBL15470632 0.77 MEN1 (0.67) MEN1ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL10331953 0.76 GRIN2B (0.46) SLC6A7MEN1ALDH1A1HTTKMT2A
SCHEMBL15579289 0.73 FASN (0.48) SLC6A7FASNMEN1ALDH1A1HTT
SCHEMBL21166248 0.73 SLC6A7 (0.57) SLC6A7FASNMEN1ALDH1A1KMT2A

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 SLC6A7 3540/4885YEATS4 4591/4885JAK2 2731/4885

“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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