SCHEMBL423993

SCHEMBL423993

CS(=O)(=O)c1ccc(Oc2cc(O)cc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
GCK P35557 2/20 0.38
POLB P06746 1/20 0.38
SLC6A4 P31645 1/20 0.38
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
EPAS1 Q99814 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
SCHEMBL2664245 0.83 ENPP2 (0.48) ENPP2PTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL425840 0.83 XDH (0.46) PTGS2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL2664271 0.83 PTGS2 (0.46) PTGS2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL2668134 0.81 ENPP2 (0.47) ENPP2PTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL10950514 0.79 PTGS2 (0.54) ENPP2PTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7937506 0.79 ENPP2 (0.75) ENPP2PTGS2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2664242 0.79 MAPT (0.47) ENPP2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL2654925 0.79 MEN1 (0.49) ENPP2PTGS2ALDH1A1GCKPOLB
SCHEMBL1107727 0.79 NOTUM (0.47) PTGS2GCK
SCHEMBL9071204 0.78 MEN1 (0.46) PTGS2SMN1; SMN2ALDH1A1LMNAHTT

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 ENPP2 2953/4885PTGS2 2487/4885SMN1; SMN2 3765/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 ENPP2 2953/4885PTGS2 2487/4885SMN1; SMN2 3765/4885

“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.