SCHEMBL11965182

SCHEMBL11965182

Cc1cccc(C)c1OCC(C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.46
▸ CXCR3 P49682 1/20 0.44
▸ HDAC4 P56524 4/20 0.44
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC3 O15379 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ TDP1 Q9NUW8 5/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL10264028 0.94 CA1 (0.54) CA1CA2SIRT5CXCR3TDP1
SCHEMBL11953231 0.92 SIRT5 (0.43) CA1CA2SIRT5CXCR3HDAC4
SCHEMBL10253756 0.89 MMP1 (0.40) CA1CA2SIRT5CXCR3HDAC4
SCHEMBL10255746 0.88 HDAC4 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL10254701 0.88 SIRT5 (0.41) CA1CA2SIRT5CXCR3HDAC4
SCHEMBL11953254 0.88 L3MBTL1 (0.52) TDP1MAPTKLK7KLK5
SCHEMBL10254540 0.87 JAK3 (0.41) CA1CA2SIRT5CXCR3HDAC4
SCHEMBL13040292 0.85 CTSS (0.41) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL11953236 0.85 CTSS (0.41) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL12902822 0.84 REN (0.44) HDAC4HDAC1HDAC3HDAC7HDAC2

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
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF SHIRE LLC 2011-02-03 — — 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 (2 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 1324/4885SIRT5 535/4885
US-20110028552-A1 MEXILETINE AMINO ACID AND PEPTIDE PRODRUGS AND USES THEREOF VIP, TRPV1, LNPEP CA1 1896/4885CA2 1369/4885SIRT5 2307/4885

“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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