SCHEMBL13034038

SCHEMBL13034038

Cc1cccc(NC(C)(C)C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ FABP4 P15090 2/20 0.49
▸ FABP3 P05413 1/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TRPM4 Q8TD43 1/20 0.44
▸ PTGS2 P35354 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ DHFR P00374 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42

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
SCHEMBL9387049 0.81 CES2 (0.48) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL16318050 0.79 KDM4E (0.54) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL28063083 0.79 KDM4E (0.55) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL28030166 0.78 KDM4E (0.47) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL2624008 0.76 HPGD (0.63) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL355272 0.76 TDP1 (0.61) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL31496763 0.76 KDM4E (0.45) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL3984461 0.76 KDM4E (0.51) KDM4EFABP4FABP3KMT2ATRPM4
SCHEMBL7974559 0.75 KDM4E (0.57) KDM4EFABP4FABP3MEN1KMT2A
SCHEMBL1903512 0.75 KDM4E (0.50) KDM4EFABP4FABP3MEN1KMT2A

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
US-8633160-B2 Small molecule inhibitors of PDZ interactions NONO INC. (CA) 2014-01-21 — — US disclosed
US-20100298360-A1 SMALL MOLECULE INHIBITORS OF PDZ INTERACTIONS BELMARES MICHAEL P 2010-11-25 — — US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 — — US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 — — 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 (3 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-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD KDM4E 4235/4885FABP4 1041/4885FABP3 153/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD KDM4E 4235/4885FABP4 1041/4885FABP3 153/4885
US-20100298360-A1 SMALL MOLECULE INHIBITORS OF PDZ INTERACTIONS PDLIM5, DAB2IP, PSD KDM4E 4235/4885FABP4 1041/4885FABP3 153/4885

“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.

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