SCHEMBL4750138

SCHEMBL4750138

CC(C)(C)OC(=O)N1CCc2cc(-c3nc(-c4ccc(-c5ccccc5)c(C(F)(F)F)c4)no3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.56
S1PR3 Q99500 4/20 0.50
ESR2 Q92731 1/20 0.46
USP30 Q70CQ3 1/20 0.44
HDAC4 P56524 1/20 0.44

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
SCHEMBL2986942 0.95 S1PR1 (0.58) S1PR1S1PR3USP30HDAC4
SCHEMBL4746452 0.85 S1PR1 (0.67) S1PR1S1PR3
SCHEMBL19746839 0.82 HDAC4 (0.64) ESR2HDAC4
SCHEMBL2415343 0.81 S1PR1 (0.68) S1PR1ESR2USP30
SCHEMBL2179933 0.80 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2181741 0.80 S1PR1 (0.79) S1PR1S1PR3
SCHEMBL2983038 0.80 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL2985518 0.80 S1PR1 (0.54) S1PR1S1PR3HDAC4
SCHEMBL25574615 0.79 ESR2 (0.58) ESR2USP30HDAC4
SCHEMBL10455382 0.78 S1PR1 (0.66) S1PR1S1PR3

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-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
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 142/4885ESR2 659/4885

“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.