SCHEMBL9396774

SCHEMBL9396774

CC(CCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSK P43235 12/20 0.44
▸ CTSS P25774 6/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41

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
SCHEMBL18866617 1.00 CA1 (0.46) CA1CA2CA7MEN1GAA
SCHEMBL28981403 0.94 CA1 (0.44) CA1CA2CA7MEN1GAA
SCHEMBL1000144 0.90 CA1 (0.49) CA1CA2CA7MEN1GAA
SCHEMBL23833052 0.90 CA1 (0.49) CA1CA2CA7MEN1GAA
SCHEMBL6375701 0.90 CA1 (0.49) CA1CA2CA7MEN1GAA
SCHEMBL8270649 0.85 CA1 (0.47) CA1CA2CA7MEN1GAA
SCHEMBL27490793 0.83 MEN1 (0.45) CA1CA2CA7MEN1GAA
SCHEMBL12734600 0.83 CTSK (0.61) CTSKCTSS
SCHEMBL15961701 0.83 CTSK (0.61) CTSKCTSS
SCHEMBL24687980 0.83 TDP1 (0.50) CA1CA2CA7MEN1GAA

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
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 — — US disclosed
US-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-26 — — US disclosed
WO-2012125622-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-20 — — WO disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 — — WO disclosed
EP-0108399-B1 SUBSTITUTED CARBOXYFLUORESCEINS ABBOTT LABORATORIES (US) 1987-09-23 — — EP disclosed
US-4476229-A QUANTITATIVE ANALYSIS OF LIGANDS IN BIOLOGICAL FLUIDS ABBOTT LABORATORIES (US) 1984-10-09 — — US disclosed
EP-0108399-A2 Substituted carboxyfluoresceins ABBOTT LABORATORIES (US) 1984-05-16 — — EP 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-20130345123-A1 SUBSTITUTED ADIPIC ACID AMIDES AND USES THEREOF NPY4R, ADIPOR1, NPY1R CA1 3094/4885CA2 1978/4885CA7 1371/4885

“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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