SCHEMBL3356299

SCHEMBL3356299

CCOc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)O)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
RORC P51449 4/20 0.38
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMO O15229 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CYP2C9 P11712 2/20 0.33
NPC1 O15118 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCR1 P32246 1/20 0.32
OPRK1 P41145 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL13334921 0.91 POLB (0.38) POLBRORCHTR2CPPARGPPARD
SCHEMBL3354397 0.89 HTT (0.42) POLBRORCMAPTMEN1KMT2A
SCHEMBL3357401 0.88 AKR1B1 (0.44) POLBRORCMAPTMEN1KMT2A
SCHEMBL3355885 0.87 POLB (0.46) POLBRORCMEN1KMT2ASIRT2
SCHEMBL13308314 0.84 POLB (0.43) POLBRORCMAPTMEN1KMT2A
SCHEMBL3355715 0.83 POLB (0.42) POLBRORCMEN1KMT2ASIRT2
SCHEMBL3353151 0.83 POLB (0.39) POLBRORCMEN1KMT2ASIRT2
SCHEMBL13334922 0.83 POLB (0.41) POLBMEN1KMT2AHTR2CALDH1A1
SCHEMBL3355131 0.82 POLB (0.42) POLBMEN1KMT2ASIRT2SIRT1
SCHEMBL13330876 0.82 POLB (0.33) POLBRORC

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 2 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

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 3780/4885RORC 216/4885MAPT 4510/4885

“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.