SCHEMBL12203077

SCHEMBL12203077

CC(C)(C)c1ccnc(NC(=O)CO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.51
JAK2 O60674 1/20 0.48
TYK2 P29597 1/20 0.48
RIOK2 Q9BVS4 1/20 0.45
NR3C2 P08235 2/20 0.44
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AR P10275 1/20 0.41
USP30 Q70CQ3 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL26661469 0.88 JAK2 (0.50) MAPK14JAK2TYK2RIOK2NR3C2
SCHEMBL26722263 0.87 RIOK2 (0.48) MAPK14RIOK2NR3C2RAB9ASMN1; SMN2
SCHEMBL13145696 0.86 JAK2 (0.49) MAPK14JAK2TYK2RIOK2NR3C2
SCHEMBL12203086 0.84 SMN1; SMN2 (0.48) MAPK14RIOK2NR3C2RAB9ASMN1; SMN2
SCHEMBL2635471 0.82 NR3C2 (0.47) NR3C2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL84506 0.82 L3MBTL1 (0.52) MAPK14JAK2TYK2L3MBTL1
SCHEMBL12203076 0.81 ALDH1A1 (0.43) MAPK14RIOK2NR3C2RAB9ASMN1; SMN2
SCHEMBL5029364 0.81 NR3C2 (0.59) NR3C2
SCHEMBL12203075 0.80 MAPK1 (0.47) MAPK14JAK2TYK2NR3C2RAB9A
SCHEMBL12203066 0.79 GCK (0.54) MAPK14NR3C2RAB9ASMN1; SMN2NPC1

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-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 MAPK14 4706/4885JAK2 477/4885TYK2 1110/4885

“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.