SCHEMBL3188612

SCHEMBL3188612

CS(=O)(=O)N1CCc2cc(-c3nc(CC4CCN(c5ccc(Br)nc5)CC4)no3)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ JAK2 O60674 4/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ SYK P43405 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ RPS6KA5 O75582 1/20 0.34
▸ RPS6KA4 O75676 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ RPS6KA1 Q15418 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL3181977 0.86 ESR1 (0.39) ESR1ESR2GPR119HTTCHEK1
SCHEMBL3178944 0.85 GPR119 (0.41) ESR1ESR2GPR119
SCHEMBL3177263 0.85 GPR119 (0.41) ESR1ESR2GPR119HTTJAK2
SCHEMBL3189387 0.84 AVPR1A (0.41) ESR1ESR2GPR119HTTLMNA
SCHEMBL13531824 0.83 ESR1 (0.42) ESR1ESR2GPR119HTTCHEK1
SCHEMBL3182464 0.82 ESR1 (0.43) ESR1ESR2GPR119HTTKDM2B
SCHEMBL3177435 0.82 GPR119 (0.45) GPR119CHEK1AURKARPS6KA5RPS6KA4
Hydrochloric Acid SCHEMBL3181917 0.82 ESR1 (0.42) ESR1ESR2GPR119HTTCHEK1
SCHEMBL3171868 0.81 ESR1 (0.36) ESR1ESR2GPR119HTTCHEK1
SCHEMBL3176116 0.80 SMN1; SMN2 (0.42) GPR119HTTCHEK1AURKARPS6KA5

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 ESR1 638/4885ESR2 218/4885ATM 3456/4885

“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