SCHEMBL894724

SCHEMBL894724

CC(C)CC(N=C(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.68
MAPT P10636 7/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 5/20 0.38
POLB P06746 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RECQL P46063 2/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPRC P08575 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL13251320 1.00 AAK1 (0.68) AAK1MAPTMAPK1KMT2AATM
SCHEMBL2325860 0.86 AAK1 (0.71) AAK1MAPK1KMT2AALDH1A1MEN1
SCHEMBL18762471 0.85 AAK1 (0.67) AAK1MAPK1KMT2AALDH1A1MEN1
SCHEMBL12440732 0.84 AAK1 (0.70) AAK1MAPK1KMT2AALDH1A1MEN1
SCHEMBL18782822 0.84 AAK1 (0.74) AAK1MAPK1KMT2AALDH1A1MEN1
SCHEMBL895162 0.83 AAK1 (0.68) AAK1MAPK1KMT2AALDH1A1MEN1
SCHEMBL548006 0.83 AAK1 (0.68) AAK1MAPTATMPOLBTDP1
SCHEMBL16116863 0.83 AAK1 (0.76) AAK1KMT2APOLBALDH1A1MEN1
SCHEMBL11938939 0.83 AAK1 (0.76) AAK1MAPTMAPK1KMT2AALDH1A1
SCHEMBL32672515 0.83 AAK1 (0.68) AAK1MAPK1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-9994594-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2018-06-12 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2014-12-18 US disclosed
EP-2560978-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS Mars, Incorporated (US) 2013-02-27 EP disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
WO-2011133653-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED (US) 2011-10-27 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 (4 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-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 AAK1 3518/4885MAPT 4496/4885MAPK1 2450/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 AAK1 3518/4885MAPT 4496/4885MAPK1 2450/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 AAK1 3518/4885MAPT 4496/4885MAPK1 2450/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 AAK1 3518/4885MAPT 4496/4885MAPK1 2450/4885

“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.