SCHEMBL3854586

SCHEMBL3854586

Cc1cccc(-c2ccc(OCc3ccc(C4CCN(CCC(=O)O)CC4)cc3)cc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.50
S1PR3 Q99500 2/20 0.50
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 2/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
S1PR5 Q9H228 2/20 0.39
AR P10275 1/20 0.39
EGFR P00533 2/20 0.39

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
SCHEMBL3847275 0.92 S1PR1 (0.58) S1PR1S1PR3FFAR4ADRA1DADRA1A
SCHEMBL3848092 0.91 S1PR1 (0.52) S1PR1S1PR3FFAR1FFAR4ADRA1D
SCHEMBL3849640 0.88 FFAR4 (0.49) S1PR1S1PR3FFAR1FFAR4ADRA1D
SCHEMBL3847487 0.88 S1PR1 (0.53) S1PR1S1PR3FFAR4ADRA1DADRA1A
SCHEMBL3849903 0.87 S1PR1 (0.58) S1PR1S1PR3FFAR1FFAR4ADRA1D
SCHEMBL3847399 0.84 S1PR1 (0.48) S1PR1S1PR3FFAR1FFAR4NR1H2
SCHEMBL3852741 0.82 S1PR1 (0.53) S1PR1S1PR3FFAR1FFAR4S1PR5
SCHEMBL3853263 0.82 S1PR1 (0.48) S1PR1S1PR3FFAR1S1PR5
SCHEMBL3851799 0.82 S1PR1 (0.56) S1PR1S1PR3FFAR1FFAR4ADRA1D
SCHEMBL3853824 0.81 S1PR1 (0.54) S1PR1S1PR3FFAR4ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US claimed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP claimed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US claimed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP claimed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO claimed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885FFAR1 621/4885

“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.