SCHEMBL13633174

SCHEMBL13633174

CC(C)(C)NS(=O)(=O)c1cc(-c2cccc(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MMP13 P45452 2/20 0.49
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
CYP17A1 P05093 1/20 0.43
KAT6A Q92794 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
CNR1 P21554 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13622730 0.84 ALOX5 (0.48) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13633171 0.80 MEN1 (0.52) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13633033 0.78 JAK2 (0.45) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13623011 0.76 ALOX5 (0.67) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL15647660 0.76 MMP1 (0.57) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL3222110 0.76 SMN1; SMN2 (0.64) ALOX5MEN1ALDH1A1MAPTKMT2A
SCHEMBL31135773 0.76 SMN1; SMN2 (0.64) ALOX5MEN1ALDH1A1MAPTKMT2A
SCHEMBL13622999 0.74 CYP19A1 (0.64) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL30906658 0.73 CYP17A1 (0.57) MEN1MAPTKMT2ACYP17A1KAT6A
SCHEMBL13632920 0.72 CYP17A1 (0.47) ALOX5MMP1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALOX5 1662/4885MMP1 3919/4885MMP2 4311/4885

“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.