SCHEMBL3849930

SCHEMBL3849930

O=C(O)CCN1CCC(c2cccc(-c3nnc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)o3)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.68
S1PR3 Q99500 12/20 0.68
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL3846493 0.94 S1PR1 (0.69) S1PR1S1PR3ALDH1A1LMNAGAA
SCHEMBL3854580 0.90 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL3857963 0.88 S1PR1 (0.53) S1PR1S1PR3ALDH1A1LMNAGAA
SCHEMBL3847415 0.87 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL27674771 0.83 S1PR1 (0.56) S1PR1S1PR3CNR2
SCHEMBL3847244 0.81 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3851807 0.81 S1PR1 (0.51) S1PR1S1PR3ALDH1A1LMNAGAA
SCHEMBL2180168 0.80 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL4689604 0.79 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL27654623 0.78 S1PR1 (0.57) S1PR1S1PR3ALDH1A1LMNAGAA

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
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US claimed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP claimed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US claimed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP claimed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO claimed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885ALDH1A1 3602/4885

“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.