SCHEMBL3186663

SCHEMBL3186663

CS(=O)(=O)N1CCc2cc(OCCCBr)ccc2C1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.64
▸ ESR1 P03372 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ PKM P14618 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RYR2 Q92736 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL25318532 0.94 HRH3 (0.62) HRH3ESR1ESR2PKMLMNA
SCHEMBL5100248 0.85 HRH3 (0.61) HRH3ESR1ESR2
SCHEMBL25903917 0.84 HRH3 (0.60) HRH3ESR1ESR2PKMLMNA
SCHEMBL3171545 0.83 HRH3 (0.57) HRH3ESR1ESR2
SCHEMBL1267241 0.82 HRH3 (0.70) HRH3ESR1ESR2PKMLMNA
SCHEMBL3184675 0.81 HRH3 (0.72) HRH3ESR1ESR2
SCHEMBL3177946 0.81 ESR2 (0.62) HRH3ESR1ESR2
SCHEMBL13531869 0.80 HRH3 (0.53) HRH3ESR1ESR2PKMLMNA
SCHEMBL3187407 0.80 HRH3 (0.55) HRH3ESR1ESR2PKMLMNA
SCHEMBL3178450 0.79 HRH3 (0.55) HRH3ESR1ESR2

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 4 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 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 HRH3 665/4885ESR1 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