SCHEMBL3848092

SCHEMBL3848092

Cc1ccc(-c2ccc(OCc3ccc(C4CCN(CCC(=O)O)CC4)cc3)cc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.52
S1PR3 Q99500 2/20 0.52
FFAR4 Q5NUL3 7/20 0.45
FFAR1 O14842 4/20 0.42
AR P10275 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A5 Q9Y345 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
P2RY14 Q15391 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3854586 0.91 S1PR1 (0.50) S1PR1S1PR3FFAR4FFAR1AR
SCHEMBL3850676 0.89 S1PR1 (0.51) S1PR1FFAR4FFAR1ADRA1DADRA1A
SCHEMBL3847487 0.88 S1PR1 (0.53) S1PR1S1PR3FFAR4ADRA1DADRA1A
SCHEMBL3849903 0.87 S1PR1 (0.58) S1PR1S1PR3FFAR4FFAR1ADRA1D
SCHEMBL13713817 0.87 S1PR1 (0.49) S1PR1FFAR4FFAR1ADRA1DADRA1A
SCHEMBL3853711 0.85 S1PR1 (0.53) S1PR1S1PR3FFAR4FFAR1HRH3
SCHEMBL3847399 0.84 S1PR1 (0.48) S1PR1S1PR3FFAR4FFAR1AR
SCHEMBL3852741 0.83 S1PR1 (0.53) S1PR1S1PR3FFAR4FFAR1
SCHEMBL3847503 0.83 S1PR1 (0.48) 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 14 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
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP 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
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885FFAR4 691/4885

“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.