SCHEMBL6155989

SCHEMBL6155989

CCCS(=O)(=O)NC[C@@](C)(F)c1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
CA2 P00918 10/20 0.42
CA1 P00915 7/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 2/20 0.40
PDPK1 O15530 2/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL5186164 1.00 KIF11 (0.50) KIF11CA2CA1CA12CA9
SCHEMBL6155949 1.00 KIF11 (0.50) KIF11CA2CA1CA12CA9
SCHEMBL6561643 0.86 ALDH1A1 (0.39) KIF11CA2CA1CA12CA9
SCHEMBL5186197 0.85 KIF11 (0.41) KIF11PTGES2
SCHEMBL5187874 0.85 CYP2C19 (0.44) KIF11CA2CA1CA12CA9
SCHEMBL5186198 0.82 CA12 (0.38) KIF11CA2CA1CA12CA9
SCHEMBL5186139 0.82 KIF11 (0.39) KIF11
SCHEMBL5186196 0.82 KIF11 (0.39) KIF11PTGES2
SCHEMBL5186056 0.81 KIF11 (0.44) KIF11CA2CA1CA12CA9
SCHEMBL5186063 0.81 RXRA (0.40) KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330233-B1 METHOD OF TREATING STROKE LILLY CO ELI (US) 2005-02-02 EP disclosed
US-20040063680-A1 Method of treating stroke CLEMENS JAMES ALLEN (US) 2004-04-01 US 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-20040063680-A1 Method of treating stroke ASAH2, PCSK7, PCSK9 KIF11 338/4885CA2 233/4885CA1 348/4885

“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.