SCHEMBL19629475

SCHEMBL19629475

Cc1ccc(S(=O)(=O)n2cc(-c3cn(COCCS(C)(C)C)nc3Cl)c3cc(Br)c(F)cc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 3/20 0.33
HTR6 P50406 3/20 0.32
KMT2A Q03164 2/20 0.32
EED O75530 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALOX5 P09917 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL19626252 0.90 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL20193225 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL19629509 0.79 MAP3K14 (0.35)
SCHEMBL16608400 0.76 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL19629572 0.75 MAP3K14 (0.38)
SCHEMBL19629477 0.75 EGFR (0.33) HTR7
SCHEMBL19629512 0.71 L3MBTL1 (0.41) L3MBTL1HTR6KMT2APIM1PIM2
SCHEMBL20193178 0.71 L3MBTL1 (0.39) L3MBTL1SLC1A3SLC1A2SLC1A1HTR6
SCHEMBL19626258 0.70 DGAT1 (0.34)
SCHEMBL19626712 0.69 PDE4A (0.34) PDE4APDE4BPDE4CPDE4DL3MBTL1

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-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 PDE4A 1993/4885PDE4B 1917/4885PDE4C 2353/4885

“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.