SCHEMBL1018049

SCHEMBL1018049

N#Cc1cc(C(=O)O)ccc1OCC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
XDH P47989 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.46
F11 P03951 1/20 0.46
S1PR1 P21453 2/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
RXRA P19793 1/20 0.45
HNF4A P41235 1/20 0.45

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
SCHEMBL3956372 0.86 ALDH1A1 (0.66) ALDH1A1HPGDXDHMRGPRX4S1PR1
SCHEMBL24214037 0.85 ALDH1A1 (0.68) ALDH1A1HPGDXDH
SCHEMBL3402707 0.85 ALDH1A1 (0.48) ALDH1A1HPGDXDHMRGPRX4F11
SCHEMBL29788155 0.82 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1MRGPRX4F11
SCHEMBL3542182 0.82 L3MBTL1 (0.55) ALDH1A1L3MBTL1MRGPRX4RXRAHNF4A
SCHEMBL20597744 0.81 ALDH1A1 (0.71) ALDH1A1HPGDXDHMRGPRX4S1PR1
SCHEMBL4200563 0.81 ALDH1A1 (0.66) ALDH1A1HPGDXDH
SCHEMBL1919107 0.81 ALDH1A1 (0.55) ALDH1A1HPGDXDHMRGPRX4F11
SCHEMBL1402221 0.81 ALDH1A1 (0.74) ALDH1A1HPGDXDHMRGPRX4
SCHEMBL25315406 0.79 ALDH1A1 (0.72) ALDH1A1HPGDXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
EP-2252615-A1 DIHYDRO- 1H- PYRROLO [1,2-A]INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009094157-A1 DIHYDRO- 1H- PYRROLO [1,2-A] INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-07-30 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 (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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 ALDH1A1 427/4885HPGD 274/4885XDH 106/4885
US-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS S1PR1, S1PR2, S1PR3 ALDH1A1 375/4885HPGD 2633/4885XDH 3735/4885

“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.