SCHEMBL38058

SCHEMBL38058

CC(C)(C)OC(=O)CC(NC1CCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
BTK Q06187 1/20 0.39
GAA P10253 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC4 P56524 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
CACNA1B Q00975 5/20 0.36
EPHX2 P34913 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL38057 1.00 EPHX1 (0.40) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL10825239 0.98 EPHX1 (0.43) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL19744864 0.98 EPHX1 (0.43) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL38032 0.87 EPHX1 (0.40) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL38034 0.87 EPHX1 (0.40) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL3311032 0.81 HDAC4 (0.49) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL27996141 0.81 HDAC4 (0.49) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL29401399 0.81 HDAC4 (0.49) EPHX1BTKGAAHDAC1HDAC6
SCHEMBL7380230 0.81 EPHX2 (0.39) LMNACYP2D6EPHX2
SCHEMBL24033741 0.80 EPHX1 (0.44) EPHX1BTKGAAHDAC1HDAC6

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC EPHX1 627/4885BTK 3449/4885GAA 60/4885

“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.