SCHEMBL1663636

SCHEMBL1663636

NC(CO)Cc1cc[c]c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCNA P12004 1/20 0.36
LIG1 P18858 1/20 0.36
EPHX1 P07099 1/20 0.35
ANPEP P15144 4/20 0.33
SLC6A4 P31645 3/20 0.33
ENPEP Q07075 3/20 0.33
TRPA1 O75762 1/20 0.33
DPP4 P27487 1/20 0.30

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
SCHEMBL1663606 0.82 TRPA1 (0.31) TRPA1
SCHEMBL2052825 0.77 ALOX15 (0.33) TRPA1
SCHEMBL147803 0.75
SCHEMBL28101978 0.75 EPHX1 (0.44) PCNALIG1EPHX1ANPEPSLC6A4
SCHEMBL921395 0.74 GABRA1 (0.40) EPHX1TRPA1
SCHEMBL5660141 0.73 DPP4 (0.50) PCNALIG1EPHX1ANPEPSLC6A4
SCHEMBL15163696 0.72 PLA2G1B (0.35) TRPA1
SCHEMBL1662135 0.72 KDM4E (0.42)
SCHEMBL5230112 0.71 SLC1A1 (0.55) EPHX1ANPEPENPEPDPP4
SCHEMBL5230103 0.71 SLC1A1 (0.55) EPHX1ANPEPENPEPDPP4

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 PCNA 4682/4885LIG1 4231/4885EPHX1 485/4885

“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.