SCHEMBL13623108

SCHEMBL13623108

CC(C)(C)OC(=O)Nc1cccc(SCCOc2cccc(N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
EGFR P00533 2/20 0.39
ITK Q08881 2/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 1/20 0.39
SYK P43405 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
THRB P10828 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL13623125 0.85 SIRT2 (0.42) SIRT2ALDH1A1MAPTSYKAURKA
SCHEMBL1025746 0.84 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1HPGDMAPT
SCHEMBL13623109 0.84 MEN1 (0.49) SMN1; SMN2SIRT2ALDH1A1HPGDMAPT
SCHEMBL13623174 0.83 ITK (0.47) SMN1; SMN2FAAHALDH1A1EGFRITK
SCHEMBL13623087 0.81 SIRT2 (0.43) SIRT2ALDH1A1MAPTTSHRSYK
SCHEMBL13623112 0.80 EGFR (0.46) SIRT2EGFRITKSYK
SCHEMBL29478358 0.79 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTSYKHDAC3
SCHEMBL656043 0.79 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MAPTSYKHDAC3
SCHEMBL7861824 0.78 FAAH (0.50) SMN1; SMN2FAAHEGFRITKMAPT
SCHEMBL12519749 0.78 FAAH (0.50) SMN1; SMN2GAASIRT2FAAHEGFR

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 SMN1; SMN2 4274/4885GAA 2377/4885SIRT2 4221/4885

“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.