SCHEMBL13911909

SCHEMBL13911909

Cc1ccc(C(=O)O)cc1NC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SELL P14151 2/20 0.48
▸ SELP P16109 2/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ CASR P41180 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MYC P01106 1/20 0.45
▸ ESR1 P03372 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PTPN7 P35236 1/20 0.45

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
SCHEMBL13610846 0.86 HSD17B10 (0.49) L3MBTL1ALDH1A1KDM4ENPC1MEN1
SCHEMBL22024691 0.80 RAF1 (0.60) PPARGNPC1MEN1MAPTKMT2A
SCHEMBL7772145 0.79 AKR1C3 (0.54) AKR1C3PPARGL3MBTL1SELLSELP
SCHEMBL4012969 0.78 ALDH1A1 (0.62) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL26292488 0.78 AKR1C3 (0.53) AKR1C3L3MBTL1SELLSELPALDH1A1
Hydrochloric Acid SCHEMBL1416836 0.76 ALDH1A1 (0.61) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL560143 0.76 L3MBTL1 (0.57) L3MBTL1SELLSELPALDH1A1KDM4E
SCHEMBL2283371 0.76 PPARG (0.51) AKR1C3PPARGL3MBTL1SELLSELP
SCHEMBL11982549 0.75 ALDH1A1 (0.50) AKR1C3L3MBTL1SELLSELPALDH1A1
SCHEMBL13073785 0.75 KDM4E (0.63) AKR1C3L3MBTL1SELLSELPALDH1A1

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-8633160-B2 Small molecule inhibitors of PDZ interactions NONO INC. (CA) 2014-01-21 — — 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 (2 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 AKR1C3 4659/4885PPARG 3682/4885L3MBTL1 1478/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD AKR1C3 4659/4885PPARG 3682/4885L3MBTL1 1478/4885

“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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