SCHEMBL4430342

SCHEMBL4430342

Cc1ccccc1C(=O)c1cnc(NC(C2CCNCC2)S(=O)(=O)N2CCCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR8 P51685 3/20 0.38
PAK1 Q13153 1/20 0.36
MAPK14 Q16539 4/20 0.35
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 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
SCHEMBL4426924 0.92 CYP1A2 (0.37) CCR8PAK1
SCHEMBL4427490 0.86 CCR8 (0.39) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4426961 0.83 MAPK13 (0.39) CCR8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4437064 0.83 MAPK14 (0.42) MEN1MAPTKMT2AMAPK14MAPK13
SCHEMBL4423515 0.83 MAPK13 (0.41) CCR8MAPK14MAPK13MAPK12MAPK11
SCHEMBL4429774 0.83 CCR8 (0.35) MAPTCCR8PAK1MAPK14MAPK13
SCHEMBL4426585 0.82 CCR8 (0.37) MEN1KMT2ACCR8PAK1MAPK14
SCHEMBL4437429 0.82 CCR8 (0.35) CCR8PAK1MAPK14MAPK13MAPK12
SCHEMBL4428635 0.82 MAPK14 (0.37) MEN1KMT2ACCR8MAPK14MAPK13
SCHEMBL4426968 0.81 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 9 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
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 RXFP1 58/4885MEN1 1689/4885MAPT 2738/4885

“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.