Sugi Predict

Sugi Predict / Compounds / SCHEMBL3351912

SCHEMBL3351912

SCHEMBL3351912

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)nc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PDE4A P27815 3/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ PDE4C Q08493 3/20 0.32
▸ PDE4D Q08499 3/20 0.32
▸ MC4R P32245 1/20 0.32
▸ GPR119 Q8TDV5 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ ALK Q9UM73 2/20 0.31
▸ PGK1 P00558 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SUV39H2 Q9H5I1 5/20 0.31
▸ DNMT3A Q9Y6K1 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3355954 0.92 JAK2 (0.34) JAK2JAK1MC4RGPR119ALDH1A1
SCHEMBL3355630 0.92 AKR1B1 (0.34) JAK2JAK1GPR119ALDH1A1HDAC1
SCHEMBL3355025 0.91 JAK2 (0.35) JAK2JAK1MC4RGPR119HDAC1
SCHEMBL3355392 0.90 MC4R (0.36) JAK2JAK1PDE4APDE4BPDE4C
SCHEMBL3355410 0.89 PDE4A (0.42) JAK2JAK1PDE4APDE4BPDE4C
SCHEMBL3358660 0.86 MC4R (0.35) JAK2JAK1MC4RGPR119ALDH1A1
SCHEMBL3353490 0.86 MC4R (0.34) JAK2JAK1MC4RGPR119ALDH1A1
SCHEMBL3355857 0.85 MC4R (0.34) JAK2JAK1MC4RGPR119MAPT
SCHEMBL2799068 0.85 MC4R (0.37) JAK2JAK1MC4RALDH1A1HDAC1
SCHEMBL13308228 0.85 MC4R (0.34) JAK2JAK1MC4RALDH1A1DNMT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 JAK2 664/4885JAK1 1481/4885PDE4A 2366/4885

“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.