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Sugi Predict / Compounds / SCHEMBL3359137

SCHEMBL3359137

SCHEMBL3359137

CCOC(=O)C1CN(C(=O)OC(C)(C)C)c2cc(Cl)c(N(CC)CC)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 6/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MAPT P10636 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 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
SCHEMBL3354889 0.91 POLB (0.43) POLBKMT2AALDH1A1MEN1CYP4F2
SCHEMBL3353151 0.89 POLB (0.39) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL3358747 0.89 POLB (0.47) POLBKMT2AALDH1A1MEN1CYP4F2
SCHEMBL3351602 0.85 POLB (0.44) POLBKMT2AALDH1A1MEN1CYP4F2
SCHEMBL3354383 0.85 POLB (0.44) POLBKMT2AALDH1A1MEN1CYP4F2
SCHEMBL13308330 0.82 POLB (0.41) POLBKMT2AALDH1A1MEN1CPT1A
SCHEMBL3355357 0.82 POLB (0.41) POLBKMT2AALDH1A1MEN1CYP2C9
SCHEMBL3359480 0.82 POLB (0.41) POLBKMT2AALDH1A1MEN1CYP3A4
SCHEMBL13334922 0.81 POLB (0.41) POLBKMT2AALDH1A1MEN1CPT1A
SCHEMBL3355915 0.81 POLB (0.63) POLBKMT2AALDH1A1MEN1CPT1A

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
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US 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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 POLB 3780/4885KMT2A 3495/4885ALDH1A1 903/4885

“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.