SCHEMBL5351874

SCHEMBL5351874

CN1CCC(NC(=S)[C@@](C)(CC2CCCCC2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
EPHX1 P07099 2/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
DRD2 P14416 2/20 0.37
SSTR4 P31391 8/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
CTSK P43235 2/20 0.36
SSTR1 P30872 4/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNA3 P22001 1/20 0.35

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
SCHEMBL5351314 0.84 GPR119 (0.46) GAAEPHX1DRD2KCNA3
SCHEMBL3612235 0.75 CTSS (0.48) GAAEPHX1CA1CTSKHDAC4
SCHEMBL19744962 0.75 EPHX1 (0.43) GAAEPHX1CA2CTSKHDAC4
SCHEMBL3612229 0.75 CTSS (0.48) GAAEPHX1CA1CTSKHDAC4
SCHEMBL3610831 0.74 EPHX1 (0.43) GAAEPHX1CTSKHDAC4HDAC1
SCHEMBL3610835 0.74 EPHX1 (0.43) GAAEPHX1CTSKHDAC4HDAC1
SCHEMBL5351867 0.74 HDAC4 (0.47) GAAEPHX1CA1CA2DRD2
SCHEMBL359203 0.73 CTSK (0.59) GAAEPHX1CA1CA2DRD2
SCHEMBL31487056 0.73 GAA (0.55) GAAEPHX1CA1CA2DRD2
SCHEMBL5351400 0.72 KMT2A (0.37) GAAEPHX1DRD2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A GAA 3754/4885EPHX1 1447/4885CA1 381/4885

“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.