SCHEMBL3170801

SCHEMBL3170801

CC(C)OC(=O)N1CCc2cc(COc3ccc4c(c3)CCN(S(C)(=O)=O)C4)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 18/20 0.52
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ ABHD6 Q9BV23 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
SCHEMBL3180688 0.96 ESR2 (0.56) S1PR1ESR1ESR2ABHD6
SCHEMBL3171285 0.87 ESR2 (0.57) S1PR1ESR1ESR2
SCHEMBL3176570 0.83 ABHD6 (0.47) S1PR1ESR1ESR2ABHD6
SCHEMBL14116816 0.83 S1PR1 (0.48) S1PR1ABHD6
SCHEMBL3181247 0.80 ESR1 (0.47) S1PR1ESR1ESR2
SCHEMBL3178592 0.79 GPR119 (0.55) ESR1ESR2ABHD6
SCHEMBL3192125 0.79 ESR1 (0.45) S1PR1ESR1ESR2
SCHEMBL2177564 0.79 ABHD6 (0.50) S1PR1ESR1ESR2ABHD6
SCHEMBL3176556 0.78 GPR119 (0.54) —
SCHEMBL3189408 0.78 ESR1 (0.44) S1PR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US claimed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP claimed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — WO claimed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 — — US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 — — EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 — — 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 S1PR1 528/4885ESR1 638/4885ESR2 218/4885

“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.

Send feedback