SCHEMBL126353

SCHEMBL126353

CC(C)(C)OC(=O)NC1CN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
EPHX2 P34913 2/20 0.47
HSD11B1 P28845 1/20 0.46
MEN1 O00255 1/20 0.46
TGM2 P21980 1/20 0.46
BRD4 O60885 2/20 0.46
CHRM4 P08173 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.44
KCNA3 P22001 1/20 0.44
RORC P51449 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43

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
SCHEMBL17304702 0.95 KMT2A (0.49) CCR5KMT2AL3MBTL1KDM1AMAOB
SCHEMBL28781687 0.91 HSD11B1 (0.46) CCR5KMT2AL3MBTL1KDM1AMAOB
SCHEMBL19051691 0.91 KMT2A (0.46) CCR5KMT2AL3MBTL1KDM1AMAOB
SCHEMBL13189171 0.88 USP2 (0.54) CCR5KMT2AL3MBTL1EPHX2BRD4
SCHEMBL4703823 0.87 MEN1 (0.63) CCR5KMT2AL3MBTL1EPHX2MEN1
SCHEMBL125088 0.87 RORC (0.49) KMT2AEPHX2HSD11B1MEN1RORC
SCHEMBL13282810 0.79 MMP2 (0.54) KMT2AL3MBTL1
SCHEMBL13254806 0.79 MMP2 (0.54) KMT2AL3MBTL1
SCHEMBL5915338 0.78 MEN1 (0.53) KMT2AMEN1TGM2BRD4
SCHEMBL7698054 0.78 BRD4 (0.54) CCR5KMT2AEPHX2TGM2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2111402-B1 AMINOPYRAZOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-03-07 EP disclosed
US-7851500-B2 Aminopyrazole kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-14 US disclosed
US-20100022503-A1 AMINOPYRAZOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-28 US disclosed
WO-2008086128-A2 AMINOPYRAZOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-17 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-20100022503-A1 AMINOPYRAZOLE KINASE INHIBITORS ABL1, MAP3K19, MAP3K20 CCR5 4274/4885KMT2A 967/4885L3MBTL1 4441/4885

“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.