SCHEMBL13623016

SCHEMBL13623016

CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)Cc2cccc(N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
RORC P51449 1/20 0.47
KAT6A Q92794 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 1/20 0.42
NPY1R P25929 1/20 0.42
SYK P43405 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL13622713 0.82 AURKA (0.48) ALDH1A1CA1CA2NPY1RSYK
SCHEMBL1026387 0.82 ALDH1A1 (0.52) ALDH1A1NPC1HDAC3HDAC1HDAC2
SCHEMBL13623115 0.81 AURKA (0.53) ALDH1A1RORCCA1CA2SYK
SCHEMBL13623022 0.81 USP2 (0.47) ALDH1A1CA1CA2AURKARPS6KB1
SCHEMBL13623013 0.81 POLB (0.56) RORCKAT6ACA1CA2
SCHEMBL656043 0.80 ALDH1A1 (0.60) ALDH1A1KAT6ACA1CA2SYK
SCHEMBL29478358 0.80 ALDH1A1 (0.60) ALDH1A1KAT6ACA1CA2SYK
SCHEMBL13623018 0.80 SYK (0.48) ALDH1A1NPC1SYKAURKARPS6KB1
SCHEMBL13623132 0.80 SIRT2 (0.48) ALDH1A1RORCKAT6ACA1CA2
SCHEMBL13623204 0.80 MAPT (0.54) ALDH1A1CA1CA2AURKARPS6KB1

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 5 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
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 ALDH1A1 2511/4885NPC1 2849/4885RORC 963/4885

“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.