SCHEMBL1663639

SCHEMBL1663639

O=C(O)C1CCC1Cc1cc[c]c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TBXA2R P21731 1/20 0.32
FFAR4 Q5NUL3 5/20 0.32
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32

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
SCHEMBL15163174 0.90 CA1 (0.51) CA1CA2CA9CA12FFAR4
SCHEMBL15163175 0.90 CA1 (0.51) CA1CA2CA9CA12FFAR4
SCHEMBL15163401 0.90 CA1 (0.51) CA1CA2CA9CA12FFAR4
SCHEMBL3422418 0.78 IDO1 (0.33) CA1CA2CA9CA12GRM2
SCHEMBL3420730 0.78 IDO1 (0.33) CA1CA2CA9CA12GRM2
SCHEMBL3420727 0.78 IDO1 (0.33) CA1CA2CA9CA12GRM2
SCHEMBL23235646 0.73 GRM2 (0.44) CA1CA2CA9CA12GRM2
SCHEMBL15163311 0.71 GRM2 (0.36) GRM2GRM3
SCHEMBL3419399 0.71 GRM2 (0.31) GRM2GRM3
SCHEMBL7225865 0.70 PTGS1 (0.47) CA1CA2CA9CA12PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CA1 4401/4885CA2 3782/4885CA9 4458/4885

“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.