SCHEMBL2949916

SCHEMBL2949916

O=C(O)C1CCN(Cc2ccc3sc(-c4cccc(C(F)(F)F)c4)cc3c2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.58
S1PR1 P21453 7/20 0.51
GRK5 P34947 1/20 0.51
CDK8 P49336 1/20 0.51
S1PR4 O95977 1/20 0.51
S1PR3 Q99500 1/20 0.51
HDAC6 Q9UBN7 1/20 0.48
PDGFRA P16234 1/20 0.47
NOTUM Q6P988 1/20 0.47
CCR3 P51677 1/20 0.47
DRD4 P21917 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL2947051 0.92 S1PR5 (0.69) S1PR5S1PR1GRK5CDK8S1PR4
SCHEMBL2941432 0.79 S1PR1 (0.61) S1PR5S1PR1S1PR4S1PR3
SCHEMBL2942654 0.78 S1PR1 (0.52) S1PR5S1PR1GRK5CDK8S1PR3
SCHEMBL2946147 0.76 S1PR1 (0.58) S1PR5S1PR1GRK5CDK8S1PR4
SCHEMBL17099355 0.75 FAAH (0.59) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL29783820 0.75 SIGMAR1 (0.67) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL4958680 0.75 SIGMAR1 (0.67) S1PR5S1PR1GRK5CDK8PDGFRA
SCHEMBL3034532 0.74 S1PR5 (1.00) S1PR5S1PR1GRK5CDK8S1PR4
SCHEMBL31395043 0.73 S1PR5 (0.85) S1PR5S1PR1GRK5CDK8S1PR4
SCHEMBL4000036 0.72 S1PR5 (0.58) S1PR5S1PR1GRK5CDK8PDGFRA

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
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 S1PR5 70/4885S1PR1 133/4885GRK5 159/4885
US-20090131400-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS ICOS, EDNRA, NFATC1 S1PR5 70/4885S1PR1 133/4885GRK5 159/4885

“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.