SCHEMBL1661397

SCHEMBL1661397

CC(=O)NCCc1cc[c]c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
PTGS1 P23219 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
F13A1 P00488 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
PTGS2 P35354 1/20 0.41
JAK3 P52333 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL7966422 0.79 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3415484 0.77 CA1 (0.37) KDM4EALDH1A1
SCHEMBL667359 0.76 KDM4E (0.65) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1660980 0.75 POLB (0.41) ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL27848147 0.75 POLB (0.40) KDM4ELMNAMAPTHSD17B10
SCHEMBL10591303 0.74 KDM4E (0.66) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1010528 0.74 TAAR1 (0.62) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL1418836 0.73 KEAP1 (0.47)
SCHEMBL10592850 0.73 KDM4E (0.84) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL658361 0.73 KDM4E (0.70) KDM4EALDH1A1LMNAMAPTHPGD

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 KDM4E 2878/4885ALDH1A1 1637/4885LMNA 3214/4885

“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.