SCHEMBL3033249

SCHEMBL3033249

CC(C)(C)C(C(=O)O)(C(=O)Oc1ccc([N+](=O)[O-])c(Oc2cc(Cl)cc(Br)c2)c1F)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 12/20 0.38
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
KMT2A Q03164 1/20 0.36
VEGFA P15692 3/20 0.35
TBXA2R P21731 4/20 0.33
LMNA P02545 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
SCHEMBL3031365 0.87 EPAS1 (0.37) EPAS1TDP1MEN1TTRPPOX
SCHEMBL3036533 0.83 MEN1 (0.41) TDP1MEN1TTRPPOXKMT2A
SCHEMBL3641931 0.81 EPAS1 (0.38) EPAS1TDP1MEN1TTRPPOX
SCHEMBL13560498 0.79 EPAS1 (0.35) EPAS1VEGFATBXA2RLMNA
SCHEMBL3031375 0.77 EPAS1 (0.40) EPAS1TDP1MEN1KMT2AVEGFA
SCHEMBL3028132 0.76 EPAS1 (0.38) EPAS1MEN1KMT2AVEGFALMNA
SCHEMBL3023944 0.75 PIN1 (0.40) MEN1KMT2ALMNA
SCHEMBL3038920 0.75 CYP1A2 (0.41) EPAS1TDP1MEN1TTRPPOX
SCHEMBL4752770 0.75 CYP1A2 (0.41) EPAS1TDP1MEN1TTRPPOX
SCHEMBL3641926 0.75 EPAS1 (0.36) EPAS1TDP1MEN1TTRPPOX

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 EPAS1 3652/4885TDP1 243/4885MEN1 3585/4885

“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.