SCHEMBL188113

SCHEMBL188113

CCOC(C)(CC(C(=O)O)C(C)C)OCC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
MMP8 P22894 1/20 0.32

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
SCHEMBL5509916 0.74 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL5512967 0.74 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL5514482 0.71 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1
SCHEMBL20239746 0.71 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1
SCHEMBL13448111 0.71 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL28270588 0.70 MAPK1 (0.42)
SCHEMBL4982402 0.69 MMP8 (0.35) MMP8
SCHEMBL25131984 0.69 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1MMP8
SCHEMBL12868857 0.69 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1
SCHEMBL29104414 0.69 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313386-B1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2012-01-04 EP disclosed
US-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES JLL/DELTA DUTCH NEWCO B.V. (NL) 2011-10-06 US disclosed
EP-2313386-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP Assets B.V. (NL) 2011-04-27 EP disclosed
WO-2010010165-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES DSM IP ASSETS BV (NL) 2010-01-28 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-20110244531-A1 SYNTHESIS ROUTES TO 2(S),4(S),5(S),7(S)-2,7-DIALKYL-4-HYDROXY-5-AMINO-8-ARYL-OCTANOYL AMIDES KHK, AGTR2, HK2 SLC1A3 1279/4885SLC1A2 843/4885SLC1A1 1525/4885

“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.