SCHEMBL2169040

SCHEMBL2169040

O=C(O)CCN1CCc2cc(OCc3cccc(C(F)(F)F)c3)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 1/20 0.57
S1PR1 P21453 6/20 0.56
NR4A2 P43354 2/20 0.52
S1PR5 Q9H228 4/20 0.51
PDGFRA P16234 2/20 0.51
PRKX P51817 1/20 0.49
IKBKE Q14164 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
PIM1 P11309 1/20 0.49
PRKD3 O94806 1/20 0.49
CDK7 P50613 1/20 0.49
JAK3 P52333 1/20 0.49
TNK2 Q07912 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
MAOB P27338 3/20 0.48
MRGPRX4 Q96LA9 1/20 0.48

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
SCHEMBL18550217 0.83 FFAR1 (0.52) FFAR1FFAR4S1PR1NR4A2S1PR5
SCHEMBL2182632 0.83 S1PR1 (0.55) FFAR1S1PR1S1PR5ITGB3ITGA2B
SCHEMBL18549882 0.81 FFAR1 (0.51) FFAR1FFAR4S1PR1NR4A2S1PR5
SCHEMBL2179759 0.81 S1PR1 (0.53) FFAR1S1PR1S1PR5ITGB3ITGA2B
SCHEMBL2168010 0.81 S1PR1 (0.56) S1PR1S1PR5ITGB3ITGA2B
SCHEMBL18550057 0.80 FFAR4 (0.50) FFAR1FFAR4S1PR1NR4A2S1PR5
SCHEMBL29098060 0.80 NR4A2 (0.56) FFAR1FFAR4S1PR1NR4A2S1PR5
SCHEMBL10268719 0.79 S1PR5 (0.69) FFAR1FFAR4S1PR1NR4A2S1PR5
SCHEMBL13980737 0.79 S1PR1 (0.53) FFAR1S1PR1S1PR5ITGB3ITGA2B
SCHEMBL4423589 0.78 ITGB3 (0.51) S1PR1ITGB3ITGA2BL3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP claimed
JP-4728962-B2 2011-07-20 JP claimed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP claimed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US claimed
JP-2007501860-A 2007-02-01 JP claimed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP claimed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US claimed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 WO claimed
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP disclosed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US disclosed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 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-20050009786-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 FFAR1 621/4885FFAR4 691/4885S1PR1 133/4885

“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.