SCHEMBL2179933

SCHEMBL2179933

O=C(O)CCN1CCc2cc(-c3nc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)no3)ccc2C1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.79
S1PR3 Q99500 6/20 0.57
S1PR4 O95977 1/20 0.48
CYP2C9 P11712 1/20 0.48
S1PR5 Q9H228 1/20 0.48

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
SCHEMBL2181741 1.00 S1PR1 (0.79) S1PR1S1PR3S1PR4CYP2C9S1PR5
SCHEMBL2168613 0.97 S1PR1 (0.84) S1PR1S1PR3S1PR5
SCHEMBL2169176 0.93 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL2983598 0.90 S1PR1 (0.69) S1PR1S1PR3S1PR4CYP2C9S1PR5
SCHEMBL4746452 0.90 S1PR1 (0.67) S1PR1S1PR3
Hydrochloric Acid SCHEMBL2986372 0.89 S1PR1 (0.68) S1PR1S1PR3S1PR4CYP2C9S1PR5
SCHEMBL2417428 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR5
SCHEMBL4689604 0.88 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL2983038 0.88 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL13765638 0.83 S1PR1 (0.61) S1PR1S1PR3S1PR4CYP2C9S1PR5

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
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP claimed
JP-4728962-B2 2011-07-20 JP claimed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP claimed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US claimed
JP-2007501860-A 2007-02-01 JP claimed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP claimed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US claimed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 WO claimed
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
EP-1644367-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2015-10-14 EP disclosed
EP-1644367-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-12-31 EP disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
US-7462629-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2008-12-09 US disclosed
EP-1644367-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-04-12 EP disclosed
US-20050009786-A1 Immunosuppressant compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2005-01-13 US disclosed
WO-2004113330-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-29 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-20050009786-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 S1PR1 133/4885S1PR3 142/4885S1PR4 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.