SCHEMBL2948378

SCHEMBL2948378

O=C(O)CCNCc1ccc2sc(-c3ccc(Cl)c(C(F)(F)F)c3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.76
S1PR4 O95977 3/20 0.44
S1PR5 Q9H228 3/20 0.44
EIF2AK2 P19525 5/20 0.43
PDGFRB P09619 2/20 0.42
KDR P35968 2/20 0.42
HDAC1 Q13547 2/20 0.42
GCGR P47871 1/20 0.38

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
SCHEMBL2947486 0.89 S1PR1 (0.77) S1PR1S1PR4S1PR5HDAC1GCGR
SCHEMBL2946511 0.88 S1PR1 (0.76) S1PR1S1PR4S1PR5HDAC1
SCHEMBL2947269 0.87 S1PR1 (0.59) S1PR1EIF2AK2PDGFRBKDRHDAC1
SCHEMBL2237377 0.86 S1PR1 (1.00) S1PR1S1PR4S1PR5HDAC1
SCHEMBL2947938 0.85 S1PR1 (0.72) S1PR1S1PR4S1PR5HDAC1
SCHEMBL2946203 0.85 S1PR1 (0.72) S1PR1S1PR4S1PR5HDAC1
SCHEMBL13233713 0.85 S1PR1 (0.83) S1PR1S1PR4S1PR5HDAC1GCGR
SCHEMBL2950819 0.84 S1PR1 (0.70) S1PR1S1PR4S1PR5HDAC1
SCHEMBL2948903 0.83 S1PR1 (0.69) S1PR1S1PR4S1PR5HDAC1
SCHEMBL2948297 0.83 S1PR1 (0.61) S1PR1S1PR4S1PR5HDAC1GCGR

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-7417065-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-08-26 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
CN-1791592-B Immunosuppressant compounds and compositions IRM LLC 2012-07-04 CN 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-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 S1PR1 133/4885S1PR4 211/4885S1PR5 70/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR4 211/4885S1PR5 70/4885

“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.