SCHEMBL425840

SCHEMBL425840

COc1cc(Br)cc(Oc2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.46
PTGS2 P35354 7/20 0.45
PTGS1 P23219 4/20 0.45
EGFR P00533 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
GCK P35557 2/20 0.42

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
SCHEMBL2664271 0.84 PTGS2 (0.46) PTGS2PTGS1ALDH1A1LMNAHTT
SCHEMBL423993 0.83 ENPP2 (0.47) PTGS2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8005674 0.82 PKM (0.61) PTGS2PTGS1PKM
SCHEMBL10950514 0.81 PTGS2 (0.54) PTGS2ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1107611 0.80 MEN1 (0.52) PTGS2ALDH1A1GCK
SCHEMBL12594254 0.80 MAPT (0.47) XDHALDH1A1SMN1; SMN2GCK
SCHEMBL1107727 0.80 NOTUM (0.47) PTGS2GCK
SCHEMBL421896 0.80 GCK (0.56) GCK
SCHEMBL24156677 0.79 SMN1; SMN2 (0.39) XDHPTGS2PTGS1EGFRALDH1A1
SCHEMBL30253355 0.79 SMN1; SMN2 (0.39) XDHPTGS2PTGS1EGFRALDH1A1

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 XDH 1021/4885PTGS2 2487/4885PTGS1 2123/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 XDH 1021/4885PTGS2 2487/4885PTGS1 2123/4885

“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.