SCHEMBL14042129

SCHEMBL14042129

CNCCC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CYP2D6 P10635 1/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSK P43235 13/20 0.43
CTSS P25774 6/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL25353407 0.87 CA1 (0.50) CA1CA2CA7CYP2D6MEN1
SCHEMBL13055386 0.86 MEN1 (0.56) CA1CA2CA7CYP2D6MEN1
SCHEMBL16228758 0.84 CA2 (0.45) CA1CA2CA7CYP2D6MEN1
SCHEMBL14542311 0.84 CA1 (0.47) CA1CA2CA7CYP2D6MEN1
SCHEMBL31040427 0.83 KMT2A (0.49) CA1CA2CA7CYP2D6MEN1
SCHEMBL25353467 0.83 CA1 (0.46) CA1CA2CA7CYP2D6MEN1
SCHEMBL4932070 0.81 CA1 (0.51) CA1CA2CA7CYP2D6MEN1
SCHEMBL4932075 0.81 CA1 (0.51) CA1CA2CA7CYP2D6MEN1
SCHEMBL2388142 0.81 CA1 (0.51) CA1CA2CA7CYP2D6MEN1
SCHEMBL2389101 0.81 CA1 (0.51) CA1CA2CA7CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2023061051-A1 SULFAMIDE USP8 INHIBITOR AND USE THEREOF 中国药科大学 2023-04-20 WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
US-9828379-B2 Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof ABIDE THERAPEUTICS, INC. (US) 2017-11-28 US disclosed
US-8497373-B2 Phosphonic acid compounds as inhibitors of serine proteases ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2013-07-30 US disclosed
WO-2008124118-A1 BENZENESULFONYL COMPOUNDS AND THE USE THEROF PURDUE PHARMA L.P. (DE) 2008-10-16 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 (3 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-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP CA1 4867/4885CA2 4483/4885CA7 3445/4885
US-20230122219-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CA1 4622/4885CA2 4617/4885CA7 3754/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL CA1 2306/4885CA2 4030/4885CA7 4715/4885

“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.