SCHEMBL16388532

SCHEMBL16388532

CC(=O)[C@H](N)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.41
▸ GRIK1 P39086 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ ROCK2 O75116 2/20 0.30

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
SCHEMBL12782323 1.00 DPP4 (0.41) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL15086350 1.00 DPP4 (0.41) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL17792713 0.80 NOS2 (0.33) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL17322649 0.80 PTGS1 (0.39) GRIK1ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL197139 0.79 SLC7A5 (0.48) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL196695 0.79 SLC7A5 (0.48) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL15190002 0.79 DPP4 (0.41) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL8253827 0.79 DPP4 (0.41) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL15247971 0.79 DPP4 (0.41) DPP4GRIK1ALDH1A1MAPTPTGS1
SCHEMBL197117 0.79 SLC7A5 (0.48) DPP4GRIK1ALDH1A1MAPTPTGS1

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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 — — US disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 — — 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 DPP4 3458/4885GRIK1 965/4885ALDH1A1 2563/4885

“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.

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