SCHEMBL424168

SCHEMBL424168

O=S(=O)(CCCCl)c1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.42
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
NFE2L2 Q16236 3/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NAMPT P43490 1/20 0.34
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3455442 0.86 L3MBTL1 (0.44) PPARDKDM4EPOLBRAB9AJAK2
SCHEMBL19868461 0.83 KDM4E (0.41) PPARDKDM4EPOLBRAB9ANFE2L2
SCHEMBL2646780 0.82 PPARD (0.42) PPARDKDM4EPOLBRAB9ANFE2L2
SCHEMBL1657082 0.79 KDM4E (0.41) PPARDKDM4EPOLBRAB9ANFE2L2
SCHEMBL4079671 0.74 KDM4E (0.37) PPARDKDM4EPOLBRAB9ANFE2L2
SCHEMBL7413114 0.73 ALDH1A1 (0.50) KDM4EL3MBTL1
SCHEMBL10970323 0.73 NFE2L2 (0.59) KDM4EPOLBRAB9ANFE2L2KEAP1
SCHEMBL1465207 0.72 NFE2L2 (0.42) KDM4EPOLBNFE2L2NAMPTSMN1; SMN2
SCHEMBL11185099 0.72 ALDH1A1 (0.54) KDM4EPOLBRAB9AL3MBTL1
SCHEMBL31434911 0.72 MAPK1 (0.49) PPARDKDM4EPOLBRAB9AL3MBTL1

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 8 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
WO-2011095997-A1 BENZAMIDE COMPOUNDS AS GLUCOKINASE ACTIVATORS AND THEIR PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-08-11 WO disclosed
WO-2011095997-A1 BENZAMIDE COMPOUNDS AS GLUCOKINASE ACTIVATORS AND THEIR PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-08-11 WO 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 PPARD 1758/4885KDM4E 2858/4885POLB 4619/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 PPARD 1758/4885KDM4E 2858/4885POLB 4619/4885

“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.