SCHEMBL10046708

SCHEMBL10046708

CC(=O)C(N)CCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC7A5 Q01650 1/20 0.34
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33

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
SCHEMBL16450883 1.00 SLC1A1 (0.35) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16450887 1.00 SLC1A1 (0.35) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL17724338 0.85 KMT2A (0.36) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL130831 0.85 SLC1A1 (0.52) SLC1A1SLC7A5GRM8GRM6GRIN2D
SCHEMBL1841835 0.85 LTA4H (0.43) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL172526 0.85 SLC1A1 (0.52) SLC1A1SLC7A5GRM8GRM6GRIN2D
SCHEMBL10884958 0.85 KMT2A (0.36) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL1411236 0.85 SLC1A1 (0.52) SLC1A1SLC7A5GRM8GRM6GRIN2D
SCHEMBL1654337 0.85 LTA4H (0.43) SLC1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL283240 0.85 KMT2A (0.36) SLC1A1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738660-B2 Selective inhibitors for protein kinases and pharmaceutical composition and use thereof NATIONAL CHIAO TUNG UNIVERSITY (CN) 2017-08-22 US disclosed
EP-2281006-B1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC (US) 2017-08-02 EP disclosed
US-20160096848-A1 SELECTIVE INHIBITORS FOR PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION AND USE THEREOF NATIONAL CHIAO TUNG UNIVERSITY (CN) 2016-04-07 US disclosed
US-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2012-01-26 US disclosed
US-8084610-B2 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD (US) 2011-12-27 US disclosed
US-20080124274-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2008-05-29 US disclosed
US-20070286803-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES EDWARD 2007-12-13 US disclosed
US-20070231256-A1 Compositions and methods for detecting and treating tumors containing acidic areas SUMMERTON JAMES E 2007-10-04 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-20160096848-A1 SELECTIVE INHIBITORS FOR PROTEIN KINASES AND PHARMACEUTICAL COMPOSITION AND USE THEREOF CSNK1A1, MAP3K1, PACSIN2 SLC1A1 2108/4885HDAC3 2250/4885HDAC1 1287/4885
US-20120022371-A1 Compositions and methods for detecting and treating tumors containing acidic areas CA1, CA14, CA12 SLC1A1 1521/4885HDAC3 798/4885HDAC1 726/4885

“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.