SCHEMBL17483756

SCHEMBL17483756

O=CC(Br)CC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SLC15A1 P46059 2/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ CTSB P07858 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MMP9 P14780 1/20 0.41

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
SCHEMBL16596492 0.81 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL6265164 0.81 SLC15A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL10047603 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL9792708 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL7413100 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL10068394 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL9284609 0.80 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL27568984 0.79 SLC15A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL22605486 0.78 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2
SCHEMBL6153568 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1SLC15A1HCAR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 — — US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 — — US disclosed
EP-2970225-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS Onyx Therapeutics, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014152127-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 — — 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-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, PEPD, DNPEP ALDH1A1 2356/4885MAPK1 2648/4885L3MBTL1 3006/4885

“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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