SCHEMBL425630

SCHEMBL425630

O=C(c1cc[c]c(F)c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
HPGD P15428 5/20 0.51
PHGDH O43175 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
EPHX2 P34913 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 2/20 0.48
RECQL P46063 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL426196 0.86 SMN1; SMN2 (0.55) HPGDL3MBTL1KDM4ETSHRRECQL
SCHEMBL424048 0.86 HPGD (0.52) HPGDKDM4ETSHRRECQLKMT2A
SCHEMBL29119970 0.85 ERN1 (0.54) PKMHPGDPHGDHL3MBTL1EPHX2
SCHEMBL3713636 0.84 HPGD (0.55) HPGDL3MBTL1TSHRRECQLKMT2A
SCHEMBL28547800 0.82 PKM (0.54) PKMHPGDPHGDHL3MBTL1HSP90AA1
SCHEMBL27996526 0.79 PKM (0.51) PKMHPGDPHGDHL3MBTL1HSP90AA1
SCHEMBL21000 0.77 PHGDH (0.64) PKMHPGDPHGDHL3MBTL1EPHX2
SCHEMBL9900058 0.77 PHGDH (0.55) PKMHPGDPHGDHL3MBTL1HSP90AA1
SCHEMBL28551127 0.76 PKM (0.48) PKMHPGDPHGDHL3MBTL1HSP90AA1
SCHEMBL14143665 0.76 PKM (0.57) PKMHPGDPHGDHL3MBTL1HSP90AA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP claimed
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US claimed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-B1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC (US) 2013-08-14 EP disclosed
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
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed
US-20100029611-A1 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-02-04 US disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO 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 (3 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 PKM 156/4885HPGD 1804/4885PHGDH 453/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 PKM 156/4885HPGD 1804/4885PHGDH 453/4885
US-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 PKM 2394/4885HPGD 2237/4885PHGDH 2904/4885

“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.