SCHEMBL9913293

SCHEMBL9913293

CC(=O)NC(C)(C)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PDK1 Q15118 2/20 0.54
PDK2 Q15119 2/20 0.54
PDK3 Q15120 2/20 0.54
PDK4 Q16654 2/20 0.54
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
POLB P06746 1/20 0.52
EPHX1 P07099 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MMP8 P22894 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7591829 0.81 PDK1 (0.58) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL436619 0.80 PDK1 (0.61) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL27428457 0.80 PDK1 (0.49) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL14508151 0.78 ALDH1A1 (0.46) MAPTKMT2ARAB9AL3MBTL1MEN1
SCHEMBL14849461 0.78 PDK1 (0.63) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL83110 0.78 L3MBTL1 (0.78) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL13333876 0.77 PDK1 (0.58) NAPRTHSD17B10PDK1PDK2PDK3
SCHEMBL3129785 0.76 PDK1 (0.67) NAPRTHSD17B10PDK1PDK2PDK3
Acetanilide SCHEMBL28783420 0.76 NAPRT (0.91) NAPRTHSD17B10MAPTKMT2ANPC1
Acetanilide SCHEMBL3359084 0.75 NAPRT (1.00) NAPRTHSD17B10MAPTKMT2ANPC1

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
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
WO-2008057857-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NAPRT 4307/4885HSD17B10 1085/4885PDK1 2671/4885

“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.