SCHEMBL4580794

SCHEMBL4580794

CC(C)(C)OC(=O)NCC1(CC(=O)OCc2ccccc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
IDO1 P14902 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
FKBP1A P62942 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25218807 0.89 SYK (0.47) SYKCTSLCTSSCTSBMEN1
SCHEMBL6368219 0.87 CTSS (0.43) CTSLCTSSCTSBFKBP1AALDH1A1
SCHEMBL12160278 0.85 FAAH (0.40) SYKIDO1NPFFR1NPFFR2CA12
Acetic Acid SCHEMBL1046385 0.82 SYK (0.46) SYKCTSLCTSSCTSBKMT2A
SCHEMBL6368353 0.82 LMNA (0.50) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL6368371 0.82 ALDH1A1 (0.49) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL19209664 0.82 CTSL (0.43) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10408201 0.81 PPARA (0.50) SYKCTSLCTSSCTSBKLK7
SCHEMBL3707986 0.81 SYK (0.46) SYKCTSLCTSSCTSBMEN1
SCHEMBL14146575 0.81 SYK (0.48) SYKCTSLCTSSCTSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275401-B1 Crystalline 1-{[(alpha-isobutanoyloxyethoxy)carbonyl]aminomethyl}-1-cyclohexane acetic acid XENOPORT INC (US) 2013-04-03 EP disclosed
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US disclosed
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs XENOPORT, INC 2008-03-06 US disclosed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US disclosed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US disclosed
CN-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 CN disclosed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 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-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 SYK 4804/4885CTSL 3194/4885CTSS 1467/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 SYK 4804/4885CTSL 3194/4885CTSS 1467/4885
US-20080058546-A1 Methods for Synthesis of Acyloxyalkyl Derivatives of GABA Analogs GABRB1, GABRB3, GABBR1 SYK 4804/4885CTSL 3194/4885CTSS 1467/4885

“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.