SCHEMBL1663689

SCHEMBL1663689

O=C(O)c1cnn(Cc2cc[c]c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KLKB1 P03952 5/20 0.37
GRM2 Q14416 2/20 0.36
ALKBH1 Q13686 2/20 0.36
HPGDS O60760 1/20 0.36
ALKBH2 Q6NS38 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30755248 0.80 HSD17B10 (0.57) L3MBTL1POLBTDP1HSD17B10LMNA
SCHEMBL15520388 0.80 HSD17B10 (0.57) L3MBTL1POLBTDP1HSD17B10LMNA
SCHEMBL951879 0.78 POLB (0.60) L3MBTL1POLBTDP1HSD17B10HTT
SCHEMBL949903 0.77 HSD17B10 (0.61) L3MBTL1POLBTDP1HSD17B10HTT
SCHEMBL27379738 0.77 L3MBTL1 (0.51) L3MBTL1POLBTDP1HSD17B10HTT
SCHEMBL27373433 0.76 HSD17B10 (0.53) L3MBTL1POLBTDP1HSD17B10LMNA
SCHEMBL30755181 0.76 L3MBTL1 (0.50) L3MBTL1POLBTDP1HSD17B10LMNA
SCHEMBL553830 0.75 L3MBTL1 (0.62) L3MBTL1POLBTDP1HSD17B10HTT
SCHEMBL1912400 0.75 HSD17B10 (0.77) L3MBTL1POLBTDP1HSD17B10HTT
SCHEMBL1661165 0.75 PTGER1 (0.41) L3MBTL1HTTALDH1A1

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 11 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-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
US-7842685-B2 S1P1 receptor agonists and use thereof AMGEN INC. (US) 2010-11-30 US 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 (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-20100029611-A1 S1P1 receptor agonists and use thereof S1PR1, S1PR5, S1PR2 L3MBTL1 4182/4885POLB 4253/4885TDP1 2320/4885

“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.