SCHEMBL462734

SCHEMBL462734

COCC(C)Oc1cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(-c2ccc(C3=NCC(C)O3)[nH]2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.37
ALDH1A1 P00352 1/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
PDE5A O76074 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 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
SCHEMBL424658 1.00 GCK (0.37) GCKALDH1A1KCNH2KDM4ETSHR
SCHEMBL428787 0.92 GCK (0.43) GCKALDH1A1KCNH2KDM4ETSHR
SCHEMBL426255 0.88 GCK (0.47) GCKKCNH2
SCHEMBL423772 0.88 GCK (0.47) GCKKCNH2
SCHEMBL425681 0.85 GCK (0.38) GCKKCNH2
SCHEMBL423165 0.82 GCK (0.49) GCKKCNH2
SCHEMBL461892 0.82 GCK (0.49) GCKKCNH2
SCHEMBL13127356 0.81 GCK (0.37) GCKKCNH2
SCHEMBL421504 0.81 GCK (0.41) GCKKCNH2
SCHEMBL427844 0.80 GCK (0.40) GCKKCNH2

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-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885ALDH1A1 1098/4885KCNH2 197/4885

“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.