SCHEMBL23005331

SCHEMBL23005331

CC(C)(C)OC(=O)NCCCN1CCCCC(NC(=O)O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.42
SRC P12931 1/20 0.41
MMP1 P03956 4/20 0.40
MMP3 P08254 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 2/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.39
ACE P12821 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38

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
SCHEMBL23005330 1.00 EPHX1 (0.44) EPHX1F2F10PRSS1SRC
SCHEMBL21066903 0.96 TDP1 (0.42) EPHX1F2F10PRSS1SRC
SCHEMBL21066904 0.96 TDP1 (0.42) EPHX1F2F10PRSS1SRC
SCHEMBL28938876 0.93 F2 (0.48) EPHX1F2F10PRSS1SRC
SCHEMBL19965194 0.93 F2 (0.48) EPHX1F2F10PRSS1SRC
SCHEMBL19965191 0.89 F2 (0.46) EPHX1F2F10PRSS1MMP1
SCHEMBL7471624 0.82 MMP1 (0.49) F2F10PRSS1SRCMMP1
SCHEMBL21066905 0.81 EPHX1 (0.40) EPHX1SIGMAR1DRD2ACHEBACE1
SCHEMBL21066907 0.81 EPHX1 (0.40) EPHX1SIGMAR1DRD2ACHEBACE1
SCHEMBL8430545 0.80 F2 (0.49) F2F10PRSS1SRCMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052532-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-02-25 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 (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-20210052532-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INSULIN RESISTANCE GPR119, FABP4, SLC2A3 EPHX1 3242/4885F2 3484/4885F10 4541/4885

“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.