SCHEMBL4664554

SCHEMBL4664554

CCc1cc(CSc2ccc(CNCCC(=O)O)cc2)ccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.46
FFAR1 O14842 3/20 0.45
CD274 Q9NZQ7 3/20 0.42
PDCD1 Q15116 1/20 0.42
S1PR5 Q9H228 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
S1PR3 Q99500 3/20 0.38
S1PR2 O95136 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
SCHEMBL4664423 0.83 S1PR1 (0.47) S1PR1FFAR1CD274PDCD1FFAR4
SCHEMBL4666338 0.83 S1PR1 (0.61) S1PR1FFAR1S1PR3
SCHEMBL4664561 0.81 S1PR1 (0.52) S1PR1S1PR5S1PR3
SCHEMBL4664475 0.79 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL27644912 0.78 S1PR1 (0.46) S1PR1FFAR1CD274PDCD1S1PR5
SCHEMBL14089942 0.74 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL3209336 0.74 S1PR1 (0.56) S1PR1S1PR3S1PR2
SCHEMBL4664463 0.73 S1PR5 (0.58) S1PR1CD274PDCD1S1PR5S1PR3
SCHEMBL5939323 0.72 S1PR1 (0.64) S1PR1FFAR1FFAR4
SCHEMBL13271334 0.71 MAOA (0.39) CD274PDCD1

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 13 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 claimed
EP-1638551-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP claimed
US-7060697-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-13 US claimed
EP-1638551-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-29 EP claimed
US-20050014724-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-20 US claimed
WO-2004103309-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO claimed
EP-1638551-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2011-12-21 EP disclosed
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 133/4885FFAR1 621/4885CD274 59/4885

“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.