SCHEMBL8250178

SCHEMBL8250178

CC(=O)C1(NC(=O)[C@@H](N)Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ XIAP P98170 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51
▸ CTSC P53634 2/20 0.49
▸ SLC15A1 P46059 1/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ OPRK1 P41145 1/20 0.45
▸ HDAC8 Q9BY41 2/20 0.44
▸ ANPEP P15144 1/20 0.44
▸ RNPEP Q9H4A4 1/20 0.44
▸ DNPEP Q9ULA0 1/20 0.44
▸ CTRB1 P17538 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ SLC1A3 P43003 1/20 0.42
▸ SLC1A2 P43004 1/20 0.42
▸ SLC1A1 P43005 1/20 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
SCHEMBL7648961 0.76 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL583592 0.76 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL989802 0.76 SLC7A5 (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17844273 0.76 ALPI (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27668516 0.75 EPHX2 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11335920 0.75 EPHX2 (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9285116 0.74 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL6164804 0.74 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9285110 0.74 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL6164795 0.74 SLC7A5 (0.61) ALPIPKMPTGS1XIAPSLC7A5

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-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 — — US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 — — US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 — — EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 — — WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 — — 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 ALPI 1035/4885PKM 1002/4885PTGS1 2024/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 ALPI 1035/4885PKM 1002/4885PTGS1 2024/4885

“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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