SCHEMBL1661149

SCHEMBL1661149

O=C(O)COCc1cc[c]c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.34
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CA2 P00918 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
FFAR4 Q5NUL3 4/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
FFAR1 O14842 2/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL27781792 0.78 TSHR (0.54) CA2ALDH1A1
SCHEMBL22344571 0.78 AKR1B1 (0.48) KMT2ACA2CAMK2AALDH1A1FFAR1
SCHEMBL1418836 0.75 KEAP1 (0.47) CA2FFAR4FFAR1
SCHEMBL360528 0.73 NR4A2 (0.55) FFAR1
SCHEMBL1662307 0.72 SMN1; SMN2 (0.50) ALDH1A1FFAR1
SCHEMBL2343054 0.72 IDO1 (0.47) PKMGRM5PPARGPPARDFFAR4
SCHEMBL360819 0.72 NR4A2 (0.50) PKMGRM5ALDH1A1FFAR1
SCHEMBL16741078 0.72 PDK2 (0.33) CA2
SCHEMBL922046 0.70 APP (0.44)
SCHEMBL1661511 0.70 TSHR (0.42) KMT2AALDH1A1

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 PAM 2330/4885PKM 2394/4885KMT2A 3037/4885

“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.