SCHEMBL4427490

SCHEMBL4427490

Cc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)c2ccccc2C)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.39
PAK1 Q13153 1/20 0.35
MAPK14 Q16539 5/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
FBP1 P09467 1/20 0.35
LCK P06239 1/20 0.35
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4426961 0.93 MAPK13 (0.39) CCR8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4426585 0.92 CCR8 (0.37) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4428646 0.91 MAPK13 (0.39) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4427504 0.88 MAPK13 (0.42) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4423515 0.88 MAPK13 (0.41) CCR8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4429774 0.88 CCR8 (0.35) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4437064 0.88 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11LCK
SCHEMBL4428635 0.87 MAPK14 (0.37) CCR8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4437429 0.87 CCR8 (0.35) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4426968 0.86 MAPK13 (0.44) CCR8MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656374-B1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-03-11 EP claimed
US-7265109-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US claimed
EP-1656374-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP claimed
US-20050038073-A1 Thiazole derivatives HOFFMAN-LA ROCHE INC. 2005-02-17 US claimed
WO-2005014593-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO claimed
EP-1656374-B1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-03-11 EP disclosed
US-7265109-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1656374-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-17 EP disclosed
US-20050038073-A1 Thiazole derivatives HOFFMAN-LA ROCHE INC. 2005-02-17 US disclosed
WO-2005014593-A1 THIAZOLE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 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-20050038073-A1 Thiazole derivatives NPY4R, NPY1R, NPY2R CCR8 3056/4885PAK1 2428/4885MAPK14 1746/4885

“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.