SCHEMBL3851807

SCHEMBL3851807

O=C(O)CCN1CCC(c2ccc(-c3nnc(-c4ccc(C5CCCCC5)c(C(F)(F)F)c4)o3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.51
S1PR3 Q99500 7/20 0.51
NOTUM Q6P988 3/20 0.46
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC9A1 P19634 2/20 0.36
PTPRB P23467 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL3847289 0.96 S1PR1 (0.55) S1PR1S1PR3NOTUMLMNAKDM4E
SCHEMBL3852867 0.94 NOTUM (0.48) S1PR1S1PR3NOTUMLMNAKDM4E
SCHEMBL3857963 0.93 S1PR1 (0.53) S1PR1S1PR3NOTUMLMNAKDM4E
SCHEMBL3850544 0.87 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL3846493 0.85 S1PR1 (0.69) S1PR1S1PR3LMNAALDH1A1GAA
SCHEMBL27654743 0.82 S1PR1 (0.42) S1PR1S1PR3SLC9A1PROKR1
SCHEMBL3849930 0.81 S1PR1 (0.68) S1PR1S1PR3LMNAALDH1A1GAA
SCHEMBL3854580 0.81 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL27674804 0.80 S1PR1 (0.40) S1PR1S1PR3LMNAALDH1A1GAA
SCHEMBL3851878 0.79 S1PR1 (0.56) S1PR1S1PR3KDM4EMAPT

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 14 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
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP 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
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885NOTUM 3843/4885

“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.