SCHEMBL10331368

SCHEMBL10331368

COC(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK14 Q16539 2/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ PRF1 P14222 1/20 0.39
▸ ERCC5 P28715 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ MAPK13 O15264 1/20 0.38
▸ RAF1 P04049 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK1 P28482 2/20 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
SCHEMBL10331342 0.85 RARB (0.47) KMT2APRF1MAPK1NPSR1KDM4E
SCHEMBL3348427 0.78 NR4A2 (0.58) MEN1MAPTKMT2ASLC6A3SLC6A4
SCHEMBL17996053 0.77 CFTR (0.47) HPGDALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL10331367 0.77 NR3C1 (0.40) MAPK1HSD17B2HSD17B1
SCHEMBL10331358 0.77 YEATS4 (0.51) HPGDMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL10331353 0.77 YEATS4 (0.54) HPGDALDH1A1KMT2ANPSR1KDM4E
SCHEMBL10331365 0.76 TP53 (0.44) TP53FEN1HSD17B2HSD17B1
SCHEMBL10331348 0.76 YEATS4 (0.53) HPGDMEN1ALDH1A1KMT2ANPSR1
SCHEMBL12529385 0.76 HSD17B1 (0.56) MAPTPRF1HSD17B2HSD17B1NPC1
SCHEMBL4651623 0.75 NR4A2 (0.55) HPGDMEN1ALDH1A1GAAMAPT

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 3552/4885MEN1 3721/4885ALDH1A1 4091/4885

“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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