SCHEMBL2223573

SCHEMBL2223573

COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3C(F)(F)F)cnc2N)cn1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.71
MAP4K4 O95819 3/20 0.59
MINK1 Q8N4C8 2/20 0.59
PIK3CA P42336 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
FYN P06241 4/20 0.52
TNIK Q9UKE5 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
RIPK2 O43353 2/20 0.43
SLC22A12 Q96S37 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
NOD2 Q9HC29 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41

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
SCHEMBL2224148 0.83 KCNH2 (1.00) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL2226479 0.81 KCNH2 (0.90) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL27885049 0.80 KCNH2 (0.48) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL2227426 0.79 KCNH2 (0.78) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL2224383 0.76 KCNH2 (0.81) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL2224173 0.76 KCNH2 (0.69) KCNH2MAP4K4MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL2225969 0.75 KCNH2 (1.00) KCNH2MAP4K4MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29575216 0.75 KCNH2 (1.00) KCNH2MAP4K4MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29413286 0.75 KCNH2 (1.00) KCNH2MAP4K4MINK1PIK3CAPI4KB
SCHEMBL16687868 0.74 KCNH2 (0.74) KCNH2MAP4K4MINK1PIK3CAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP claimed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US claimed
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN claimed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US claimed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 WO claimed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US disclosed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS QDPR, DHFR, ITPA KCNH2 1101/4885MAP4K4 1556/4885MINK1 1827/4885

“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.