SCHEMBL3351819

SCHEMBL3351819

CC(=O)Nc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)O)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CPT1A P50416 3/20 0.33
CPT1B Q92523 3/20 0.33
SIRT1 Q96EB6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL3359500 0.92 RORC (0.47) RORCPOLBKMT2AMEN1SIRT1
SCHEMBL3359480 0.88 POLB (0.41) RORCPOLBKMT2AMEN1CPT1A
SCHEMBL3355885 0.87 POLB (0.46) RORCPOLBKMT2AMEN1CPT1A
SCHEMBL3355715 0.83 POLB (0.42) RORCPOLBKMT2AMEN1CPT1A
SCHEMBL3354339 0.83 KMT2A (0.39) RORCKMT2AMEN1SIRT1
SCHEMBL3354397 0.82 HTT (0.42) RORCPOLBKMT2AMEN1CPT1A
SCHEMBL3351605 0.81 POLB (0.41) RORCPOLBKMT2AMEN1SIRT1
SCHEMBL13308330 0.80 POLB (0.41) RORCPOLBKMT2AMEN1CPT1A
SCHEMBL3356299 0.80 POLB (0.40) RORCPOLBKMT2AMEN1SIRT1
SCHEMBL3353151 0.79 POLB (0.39) RORCPOLBKMT2AMEN1SIRT1

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
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
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

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 RORC 216/4885POLB 3780/4885KMT2A 3495/4885

“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.