SCHEMBL4664574

SCHEMBL4664574

COC(=O)C1CN(Cc2ccc(CSc3ccc(-c4ccccc4)c(C(F)(F)F)c3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.47
S1PR5 Q9H228 15/20 0.47
S1PR4 O95977 10/20 0.47
S1PR3 Q99500 8/20 0.46
GRK5 P34947 1/20 0.42
CDK8 P49336 1/20 0.42
PDGFRA P16234 1/20 0.41

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
SCHEMBL4664486 0.90 S1PR5 (0.56) S1PR1S1PR5S1PR4S1PR3GRK5
SCHEMBL4662867 0.85 S1PR5 (0.55) S1PR1S1PR5S1PR4S1PR3GRK5
SCHEMBL16493532 0.85 S1PR1 (0.45) S1PR1S1PR5S1PR4S1PR3GRK5
SCHEMBL5851485 0.83 S1PR1 (0.46) S1PR1S1PR5S1PR4S1PR3GRK5
SCHEMBL16493516 0.80 S1PR1 (0.44) S1PR1S1PR5S1PR4S1PR3GRK5
SCHEMBL4664711 0.80 EGFR (0.47) S1PR1
SCHEMBL4792489 0.79 S1PR1 (0.47) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4663091 0.78 S1PR5 (0.53) S1PR1S1PR5S1PR4S1PR3
SCHEMBL13271331 0.77 S1PR5 (0.58) S1PR1S1PR5S1PR4S1PR3
SCHEMBL4662864 0.76 KIF11 (0.44) S1PR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US disclosed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP disclosed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US disclosed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 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 (1 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-20050014724-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR5 70/4885S1PR4 211/4885

“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.