SCHEMBL1015515

SCHEMBL1015515

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
G6PD P11413 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
S1PR1 P21453 2/20 0.39
APP P05067 1/20 0.39
POLB P06746 1/20 0.39
S1PR3 Q99500 1/20 0.38

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
SCHEMBL30902412 0.80 ALDH1A1 (0.55) FDPSALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL7136688 0.80 ALDH1A1 (0.43) FDPSALDH1A1TSHRS1PR1APP
SCHEMBL1414781 0.79 FDPS (0.69) FDPSALDH1A1KDM4EMEN1MAPT
SCHEMBL14033966 0.78 ALDH1A1 (0.49) FDPSALDH1A1KDM4EMEN1USP2
SCHEMBL3290437 0.78 AR (0.50) ALDH1A1KDM4EMEN1USP2HSP90AA1
SCHEMBL28714428 0.78 XDH (0.54) FDPSALDH1A1MAPTTSHRPOLB
SCHEMBL177342 0.78 FDPS (0.54) FDPSALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29445723 0.78 XDH (0.54) FDPSALDH1A1MAPTTSHRPOLB
SCHEMBL12128120 0.77 AAK1 (0.49) ALDH1A1KDM4EMEN1USP2HSP90AA1
SCHEMBL16838761 0.77 ALDH1A1 (0.47) FDPSALDH1A1KDM4EMEN1USP2

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 10 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 FDPS 497/4885ALDH1A1 427/4885KDM4E 4128/4885

“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.