SCHEMBL1136812

SCHEMBL1136812

CC(C)(C)OC(=O)c1nc(CC(=O)O)cs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
GABRA5 P31644 1/20 0.49
GABRB2 P47870 1/20 0.49
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 5/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.37

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
SCHEMBL1706522 0.77 HSD17B10 (0.58) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL162380 0.76 HPGDS (0.38) HSD17B10ALDH1A1MAPTHPGDS
SCHEMBL299175 0.75 SMN1; SMN2 (0.51) HSD17B10GABRA5GABRB2ALDH1A1HPGD
SCHEMBL15709828 0.74 MEN1 (0.46) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL29225400 0.74 GRM5 (0.41) HSD17B10ALDH1A1MAPTHPGDS
SCHEMBL27710732 0.74 HPGDS (0.37) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL12548427 0.74 HSD17B10 (0.54) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL11130654 0.74 HSD17B10 (0.62) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL1540250 0.73 ALDH1A1 (0.46) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL2414685 0.73 HSD17B10 (0.43) HSD17B10GABRA5GABRB2ALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896434-B1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-02-23 EP disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 US disclosed
EP-1896434-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFkB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2006076632-A1 SUBSTITUTED HETEROARYL AMIDE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NFκB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
US-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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-20060154973-A1 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKB2, NFKB1 HSD17B10 939/4885GABRA5 1937/4885GABRB2 1238/4885

“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.