SCHEMBL423250

SCHEMBL423250

CC1(C)OB(c2cc(O)cc(Oc3ccc(S(C)(=O)=O)cc3)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
CA9 Q16790 6/20 0.43
ENPP2 Q13822 1/20 0.38
HIF1A Q16665 3/20 0.37
PTGS2 P35354 6/20 0.36
PTGS1 P23219 5/20 0.36
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
GCK P35557 1/20 0.34
S1PR2 O95136 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
SCHEMBL9987396 0.83 GCK (0.51) CA1CA2CA9PTGS2GCK
SCHEMBL9987330 0.78 MEN1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL422979 0.78 GCK (0.51) GCK
SCHEMBL16496761 0.75 CA1 (0.43) CA1CA2CA9PTGS2PTGS1
SCHEMBL10904 0.74 CA1 (0.56) CA1CA2CA9CA12CA3
SCHEMBL2664245 0.74 ENPP2 (0.48) ENPP2PTGS2PTGS1GCK
SCHEMBL4252418 0.73 SNCA (0.39) CA1CA2CA9HIF1APTGS2
SCHEMBL9987674 0.73 GCK (0.39) CA1CA2CA9PTGS2PTGS1
SCHEMBL2668134 0.73 ENPP2 (0.47) ENPP2PTGS2GCK
SCHEMBL423993 0.73 ENPP2 (0.47) ENPP2PTGS2GCK

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
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP 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 (2 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 CA1 2330/4885CA2 899/4885CA9 2499/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 CA1 2330/4885CA2 899/4885CA9 2499/4885

“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.