SCHEMBL3358657

SCHEMBL3358657

CC(C)(C)OC(=O)N1CC(C(=O)O)Oc2c(Br)cc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RORC P51449 6/20 0.36
SIRT2 Q8IXJ6 4/20 0.35
STS P08842 2/20 0.33
USP30 Q70CQ3 2/20 0.32
UCHL1 P09936 2/20 0.31

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
SCHEMBL3356484 0.86 POLB (0.44) POLBMEN1KMT2ASIRT2
SCHEMBL13308291 0.85 POLB (0.39) POLBMEN1KMT2ARORCSTS
SCHEMBL3355715 0.80 POLB (0.42) POLBMEN1KMT2ARORCSIRT2
SCHEMBL22397070 0.80 POLB (0.64) POLBMEN1KMT2ARORC
SCHEMBL22396938 0.80 POLB (0.64) POLBMEN1KMT2ARORC
SCHEMBL3357570 0.80 POLB (0.64) POLBMEN1KMT2ARORC
SCHEMBL24770356 0.77 NOTUM (0.37) MEN1KMT2ASIRT2STSUSP30
SCHEMBL3355885 0.77 POLB (0.46) POLBMEN1KMT2ARORCSIRT2
SCHEMBL3359041 0.77 RORC (0.36) POLBMEN1KMT2ARORCUSP30
SCHEMBL18334430 0.74 MAPT (0.37) POLBMEN1KMT2ASTS

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 3 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

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 3780/4885MEN1 4595/4885KMT2A 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.