SCHEMBL697937

SCHEMBL697937

CCCCOC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ACHE P22303 8/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL1534984 1.00 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL7768778 0.94 EPHX1 (0.53) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL10137321 0.90 KDM4E (0.36) EPHX1ACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL4764642 0.89 EPHX1 (0.42) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL6201756 0.87 EPHX1 (0.41) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL7886184 0.87 ACHE (0.38) ACHE
SCHEMBL10137333 0.85 HRH3 (0.36) EPHX1ACHE
SCHEMBL12868563 0.85 HRH3 (0.36) EPHX1ACHEALDH1A1
SCHEMBL8300168 0.82 ATM (0.41) ALDH1A1SMN1; SMN2RAB9AMAPK1ATM
SCHEMBL730749 0.81 MEN1 (0.36) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883627-B1 BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC (CA) 2018-04-18 EP disclosed
US-8575113-B2 BIR domain binding compounds PHARMASCIENCE INC. (CA) 2013-11-05 US disclosed
EP-2423187-A1 PROCESS FOR PRODUCTION OF N-ALKOXYCARBONYL-tert-LEUCINES Kaneka Corporation (JP) 2012-02-29 EP disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-7772177-B2 BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2010-08-10 US disclosed
EP-1883627-A1 BIR DOMAIN BINDING COMPOUNDS Aegera Therapeutics Inc. (CA) 2008-02-06 EP disclosed
WO-2006122408-A9 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC (CA) 2007-01-25 WO disclosed
US-20060264379-A1 BIR domain binding compounds PHARMASCIENCE INC. (CA) 2006-11-23 US disclosed
WO-2006122408-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2006-11-23 WO disclosed
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 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-20060264379-A1 BIR domain binding compounds BIRC5, BIRC3, BIRC2 EPHX1 4269/4885ACHE 4744/4885ALDH1A1 3348/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 EPHX1 4269/4885ACHE 4744/4885ALDH1A1 3348/4885
US-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 EPHX1 791/4885ACHE 2057/4885ALDH1A1 465/4885

“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.