SCHEMBL2942181

SCHEMBL2942181

O=C(O)C1CN(Cc2ccc3oc(-c4cc(C(F)(F)F)ccc4F)nc3c2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.66
S1PR3 Q99500 11/20 0.66
S1PR5 Q9H228 5/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
KCNH2 Q12809 1/20 0.47
PDGFRA P16234 1/20 0.46
S1PR4 O95977 1/20 0.46

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
SCHEMBL2945283 0.93 S1PR1 (0.66) S1PR1S1PR3S1PR5GRK5CDK8
SCHEMBL2946457 0.83 S1PR1 (0.65) S1PR1S1PR3S1PR5GRK5CDK8
SCHEMBL1601575 0.79 S1PR1 (1.00) S1PR1S1PR3KCNH2
SCHEMBL20615396 0.76 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL1602377 0.75 S1PR1 (0.76) S1PR1S1PR3S1PR5KCNH2
SCHEMBL1602874 0.75 S1PR1 (0.76) S1PR1S1PR3KCNH2
SCHEMBL2942654 0.75 S1PR1 (0.52) S1PR1S1PR3S1PR5GRK5CDK8
SCHEMBL1603053 0.73 S1PR1 (0.76) S1PR1S1PR3S1PR5KCNH2S1PR4
SCHEMBL1601571 0.72 S1PR1 (1.00) S1PR1S1PR3KCNH2
SCHEMBL20615479 0.71 S1PR1 (1.00) S1PR1S1PR3

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 18 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
CN-1791592-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN 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 142/4885S1PR5 70/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR5 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.