SCHEMBL13622730

SCHEMBL13622730

CC(C)(C)NS(=O)(=O)c1cc(C#Cc2cccc(NC(=O)OC(C)(C)C)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KAT6A Q92794 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.41
EPHX2 P34913 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1025121 0.89 ALDH1A1 (0.46) ALOX5MAPTMEN1KMT2AALDH1A1
SCHEMBL1025124 0.89 ALDH1A1 (0.46) ALOX5MAPTMEN1KMT2AALDH1A1
SCHEMBL13633174 0.84 ALOX5 (0.51) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL1026551 0.81 MEN1 (0.49) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL1024587 0.79 KMT2A (0.40) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL1027175 0.79 MEN1 (0.41) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13622511 0.76 MMP1 (0.45) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13622531 0.75 MEN1 (0.47) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL13623011 0.74 ALOX5 (0.67) ALOX5MMP1MMP2MMP9MMP8
SCHEMBL15647660 0.74 MMP1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
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.