SCHEMBL6180785

SCHEMBL6180785

CCOC(=O)C(F)c1ccc(SC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SLC6A4 P31645 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4038007 0.81 ALDH1A1 (0.44) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL28224535 0.81 ESR1 (0.52) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL27595607 0.81 MAPT (0.47) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL4042450 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL18610656 0.79 MAPT (0.46) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL2799224 0.79 CA12 (0.50) ALDH1A1MAPTLMNATSHRNPSR1
SCHEMBL11260308 0.79 LMNA (0.53) ALDH1A1MAPTLMNATSHRKMT2A
SCHEMBL7987182 0.79 OPRM1 (0.38) LMNATSHRKMT2AMEN1SMN1; SMN2
SCHEMBL324209 0.79 MMP8 (0.56) LMNATSHRKMT2AMEN1SMN1; SMN2
SCHEMBL2400228 0.79 MMP8 (0.56) LMNATSHRKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 WO 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 (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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B ALDH1A1 604/4885MAPT 3571/4885LMNA 4534/4885

“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.