SCHEMBL2943301

SCHEMBL2943301

COc1cc2sc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2cc1CNCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.69
S1PR3 Q99500 3/20 0.44
PPARD Q03181 1/20 0.40
STING1 Q86WV6 1/20 0.40
S1PR5 Q9H228 2/20 0.39
S1PR4 O95977 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ADRB2 P07550 1/20 0.39
GPR183 P32249 1/20 0.39
APLNR P35414 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL2949052 0.87 S1PR1 (0.73) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2237377 0.82 S1PR1 (1.00) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2943303 0.82 S1PR1 (0.86) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2945854 0.80 S1PR1 (0.68) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2946143 0.80 S1PR1 (0.67) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2946203 0.78 S1PR1 (0.72) S1PR1S1PR3PPARDS1PR5S1PR4
SCHEMBL2946844 0.76 S1PR1 (0.73) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2941925 0.76 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL13415805 0.76 S1PR1 (0.67) S1PR1S1PR3S1PR5S1PR4
SCHEMBL2946636 0.75 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4CD274

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 16 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
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 133/4885S1PR3 142/4885PPARD 1294/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885PPARD 1294/4885

“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.