SCHEMBL10264028

SCHEMBL10264028

CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC(C)COc1c(C)cccc1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ TDP1 Q9NUW8 7/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 9/20 0.41
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ CXCR3 P49682 1/20 0.40

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
SCHEMBL11965182 0.94 CA1 (0.47) CA1CA2TDP1ATMNPSR1
SCHEMBL11953231 0.86 SIRT5 (0.43) CA1CA2SIRT5ALDH1A1CXCR3
SCHEMBL11965618 0.85 MTNR1A (0.41) CA1CA2SIRT5
SCHEMBL11965619 0.84 MTNR1A (0.41) CA1CA2SIRT5
SCHEMBL10253756 0.83 MMP1 (0.40) CA1CA2MMP1MMP3MMP9
SCHEMBL10254701 0.83 SIRT5 (0.41) CA1CA2TDP1MAPTSIRT5
SCHEMBL10255746 0.82 HDAC4 (0.43) MMP9
SCHEMBL11953254 0.82 L3MBTL1 (0.52) TDP1MAPT
SCHEMBL10255906 0.82 CPA1 (0.45) CA1CA2
SCHEMBL10254540 0.82 JAK3 (0.41) CA1CA2MMP1MMP3MMP9

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-20120196933-A1 MEXILETINE PRODRUGS FRANKLIN RICHARD (GB) 2012-08-02 — — US disclosed
WO-2012085586-A1 MEXILETINE PRODRUGS SHIRE, LLC (US) 2012-06-28 — — 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-20120196933-A1 MEXILETINE PRODRUGS SLC16A1, MTPN, SLC16A3 CA1 2735/4885CA2 1324/4885TDP1 682/4885

“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.

Send feedback