SCHEMBL1014093

SCHEMBL1014093

CCOc1c(F)cc(-c2nc(-c3cccc4cnccc34)no2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.53
S1PR3 Q99500 3/20 0.53
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TTR P02766 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL4321698 0.90 S1PR1 (0.46) S1PR1S1PR3HSD17B10HPGDNPSR1
SCHEMBL11983603 0.80 S1PR1 (0.70) S1PR1S1PR3HSD17B10HPGDNPSR1
SCHEMBL1015412 0.80 S1PR1 (0.46) S1PR1S1PR3HSD17B10HPGDNPSR1
SCHEMBL1014383 0.73 RAB9A (0.46) S1PR1S1PR3HSD17B10HPGDSMN1; SMN2
SCHEMBL1014151 0.72 HDAC1 (0.43) S1PR1S1PR3HSD17B10HPGDNPSR1
SCHEMBL1014887 0.72 RAB9A (0.46) S1PR1S1PR3HSD17B10HPGDNPSR1
SCHEMBL1015208 0.72 RAB9A (0.44) S1PR1S1PR3HSD17B10HPGDSMN1; SMN2
SCHEMBL1012400 0.72 RAB9A (0.44) S1PR1HSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL12881066 0.70 L3MBTL1 (0.46) HSD17B10HPGDNPSR1SMN1; SMN2KDM4E
SCHEMBL1015459 0.69 S1PR1 (0.60) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US claimed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP claimed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US claimed
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
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 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 S1PR1 2320/4885S1PR3 1694/4885HSD17B10 257/4885

“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.