SCHEMBL13623013

SCHEMBL13623013

CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTR6 P50406 2/20 0.52
RORC P51449 1/20 0.49
KAT6A Q92794 1/20 0.49
PKM P14618 4/20 0.49
KDM4E B2RXH2 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP19A1 P11511 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TGFBR1 P36897 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL16199438 0.87 MEN1 (0.54) RORCKAT6APKMKDM4EMAPT
SCHEMBL656043 0.83 ALDH1A1 (0.60) KAT6ACA1CA2MAPT
SCHEMBL29478358 0.83 ALDH1A1 (0.60) KAT6ACA1CA2MAPT
SCHEMBL13623011 0.82 ALOX5 (0.67) HTR6PKMCA1CA2MAPT
SCHEMBL1074934 0.81 POLB (0.70) POLBHTR6PKMCA1CA2
SCHEMBL13623016 0.81 ALDH1A1 (0.48) RORCKAT6ACA1CA2
SCHEMBL18391079 0.79 ALDH1A1 (0.54) KAT6AKDM4ECA1MAPTKMT2A
SCHEMBL15647660 0.79 MMP1 (0.57) RORCKAT6AKDM4ECA2MAPT
SCHEMBL29029431 0.79 HDAC3 (0.56) RORCKAT6ACA1CA2MAPT
SCHEMBL7151558 0.79 ALOX5 (0.66) POLBKAT6APKMCA1CA2

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
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 POLB 2346/4885HTR6 4707/4885RORC 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.