SCHEMBL13623127

SCHEMBL13623127

CC(C)(C)OC(=O)Nc1cccc(CSCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
MAPT P10636 9/20 0.48
ALOX5 P09917 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
DDX3X O00571 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
MAPK1 P28482 2/20 0.46

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
SCHEMBL13623153 0.94 TRPV1 (0.47) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623084 0.88 MEN1 (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623192 0.88 MEN1 (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623130 0.88 MAPT (0.53) MMP1MMP2MMP9MMP8MMP13
SCHEMBL3222110 0.86 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1SIRT2
SCHEMBL31135773 0.86 SMN1; SMN2 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1SIRT2
SCHEMBL13623019 0.84 ALDH1A1 (0.65) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623066 0.84 MAPT (0.50) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623193 0.84 MMP1 (0.51) MMP1MMP2MMP9MMP8MMP13
SCHEMBL13623123 0.83 MEN1 (0.48) MMP1MMP2MMP9MMP8MMP13

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
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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK MMP1 3919/4885MMP2 4311/4885MMP9 3277/4885

“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.