SCHEMBL4690517

SCHEMBL4690517

CC(C)(C)OC(=O)N1CCc2cc(COc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.58
NR1H2 P55055 1/20 0.47
S1PR1 P21453 7/20 0.44
ABHD6 Q9BV23 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
ESR1 P03372 3/20 0.42
GPR119 Q8TDV5 1/20 0.42
TP53 P04637 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EPHX2 P34913 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
SCHEMBL17157064 0.89 S1PR1 (0.49) ESR2S1PR1PTGDR2ESR1TP53
SCHEMBL4751085 0.85 S1PR1 (0.48) ESR2S1PR1PTGDR2
SCHEMBL30199116 0.85 ESR2 (0.56) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL30199433 0.85 ESR2 (0.56) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL29097892 0.85 ESR2 (0.56) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL30199177 0.84 ESR2 (0.53) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL29097849 0.84 ESR2 (0.53) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL30198885 0.82 ESR2 (0.53) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL30199620 0.82 ESR2 (0.53) ESR2NR1H2S1PR1GPR119CYP4F2
SCHEMBL29097963 0.82 ESR2 (0.53) ESR2NR1H2S1PR1GPR119CYP4F2

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 ESR2 659/4885NR1H2 1070/4885S1PR1 133/4885

“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.