SCHEMBL4043717

SCHEMBL4043717

Cc1ccc2cc(S(C)(=O)=O)cc(Br)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.41
GLO1 Q04760 2/20 0.40
NFKBIA P25963 3/20 0.37
CRHR1 P34998 1/20 0.37
AGTR1 P30556 1/20 0.36
PAX8 Q06710 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.35
RELA Q04206 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.33

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
SCHEMBL5843572 0.75 COMT (0.46) CCR1GLO1SLC40A1MEN1KMT2A
SCHEMBL7186476 0.74 NPSR1 (0.52) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL1974625 0.73 CCR1 (0.48) CCR1RAB9ACCR5AGTR1MEN1
SCHEMBL13713001 0.70 CYP1A2 (0.55) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL29923496 0.69 RAB9A (0.43) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL3332400 0.69 CCR1 (0.43) CCR1RAB9ACCR5NFKBIATDP1
SCHEMBL9209719 0.68 CYP1A2 (0.53) PTGS2
SCHEMBL27512952 0.68 CCR1 (0.42) CCR1RAB9ACCR5MEN1KMT2A
SCHEMBL29239824 0.67 PTGS2 (0.42) ALDH1A1PTGS2ATM
SCHEMBL30679979 0.67 TBK1 (0.41) RAB9ASLC40A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100508978-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK & CO INC MERCK FROSST CA (US) 2009-07-08 CN disclosed
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
EP-1517895-B1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2007-03-14 EP disclosed
US-7153968-B2 8-(biaryl)quinoline PDE4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2006-12-26 US disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-10-20 US disclosed
CN-1221534-C Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2005-10-05 CN disclosed
US-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
EP-1517895-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-03-30 EP disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
CN-1551769-A Substituted 8-arylquinoline phosphodiesterase-4 inhibitors 2004-12-01 CN disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2004000814-A1 8-(BIARYL) QUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-12-31 WO disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 WO disclosed
CN-1434801-A Substited 8-anylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA INC (CA) 2003-08-06 CN disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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 (3 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B CCR1 115/4885RAB9A 536/4885CCR5 333/4885
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C CCR1 3117/4885RAB9A 1060/4885CCR5 1988/4885
US-20050234238-A1 8-(Biaryl)quinoline pde4 inhibitors IL4, PDE4A, PDE4C CCR1 230/4885RAB9A 1465/4885CCR5 168/4885

“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.