SCHEMBL2948271

SCHEMBL2948271

O=C(O)CCNCc1ccc2nc(-c3ccc(C4CCCCC4)c(F)c3)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 8/20 0.47
S1PR1 P21453 9/20 0.44
S1PR3 Q99500 8/20 0.44
S1PR4 O95977 1/20 0.44
S1PR5 Q9H228 1/20 0.44
PDCD1 Q15116 2/20 0.43
CD274 Q9NZQ7 2/20 0.43
HPSE Q9Y251 3/20 0.42

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
SCHEMBL2945818 0.89 S1PR1 (0.53) VSIRS1PR1S1PR3
SCHEMBL2948333 0.84 S1PR1 (0.55) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL13233762 0.82 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL2942671 0.81 HDAC6 (0.54) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL2945766 0.81 VSIR (0.62) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL2942666 0.80 VSIR (0.67) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL2949312 0.76 S1PR1 (0.55) VSIRS1PR1S1PR3S1PR4S1PR5
SCHEMBL2950004 0.75 VSIR (0.56) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL2943147 0.75 S1PR1 (0.54) VSIRS1PR1S1PR3PDCD1CD274
SCHEMBL2940607 0.75 S1PR1 (0.58) VSIRS1PR1S1PR3PDCD1CD274

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
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US claimed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US claimed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP claimed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US claimed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 WO claimed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-7750021-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2010-07-06 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-05-21 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
US-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 US disclosed
EP-1628967-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-01 EP disclosed
US-20050014725-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2005-01-20 US disclosed
WO-2005000833-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2005-01-06 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 (2 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-20050014725-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 VSIR 640/4885S1PR1 133/4885S1PR3 142/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 VSIR 640/4885S1PR1 133/4885S1PR3 142/4885

“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.