SCHEMBL17108482

SCHEMBL17108482

CC(C)(C)OC(=O)N1CCNC(=O)C1(C)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
FPR2 P25090 7/20 0.37
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
BUB1 O43683 1/20 0.34
FPR3 P25089 3/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
USP30 Q70CQ3 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CCR5 P51681 1/20 0.32

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
SCHEMBL17055330 0.80 RORC (0.43) RORCFPR2CCNB2CDK1CCNB1
SCHEMBL1632144 0.76 MAPK1 (0.41) MAPK1SMN1; SMN2BUB1NR1H2
SCHEMBL31157793 0.74 SMN1; SMN2 (0.34) RORCMAPK1SMN1; SMN2CCNB2CDK1
SCHEMBL22300965 0.73 RORC (0.46) RORCFPR2FPR3NR1H2NR1H3
SCHEMBL11093077 0.71 MAPK1 (0.44) MAPK1BUB1NR1H2NR1H3USP30
SCHEMBL25330150 0.70 RORC (0.43) RORCSMN1; SMN2FPR2FPR3NR1H2
SCHEMBL19459158 0.70 RORC (0.51) RORCMAPK1FPR2FPR3NR1H2
SCHEMBL19462833 0.70 RORC (0.51) RORCMAPK1FPR2FPR3NR1H2
SCHEMBL19486875 0.70 RORC (0.51) RORCMAPK1FPR2FPR3NR1H2
SCHEMBL11074159 0.70 NR1H2 (0.44) RORCMAPK1NR1H2NR1H3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 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-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RORC 547/4885MAPK1 541/4885SMN1; SMN2 1145/4885

“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.