SCHEMBL3354397

SCHEMBL3354397

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)O)O2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
RORC P51449 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CPT1A P50416 6/20 0.38
CPT1B Q92523 5/20 0.38
AKR1B1 P15121 1/20 0.37
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35

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
SCHEMBL3355885 0.90 POLB (0.46) POLBRORCMEN1KMT2ACPT1A
SCHEMBL3356299 0.89 POLB (0.40) POLBRORCMEN1KMT2AMAPT
SCHEMBL13334921 0.86 POLB (0.38) POLBRORC
SCHEMBL3355715 0.86 POLB (0.42) POLBRORCMEN1KMT2ACPT1A
SCHEMBL3357401 0.84 AKR1B1 (0.44) POLBRORCMEN1KMT2AAKR1B1
SCHEMBL3351605 0.84 POLB (0.41) POLBRORCMEN1KMT2A
SCHEMBL3351819 0.82 RORC (0.41) HTTPOLBHPGDRORCMEN1
SCHEMBL3359500 0.82 RORC (0.47) POLBRORCMEN1KMT2A
SCHEMBL3353151 0.81 POLB (0.39) POLBRORCMEN1KMT2A
SCHEMBL3357570 0.81 POLB (0.64) POLBRORCMEN1KMT2ACPT1A

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 HTT 4802/4885POLB 3780/4885HPGD 941/4885

“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.