SCHEMBL895110

SCHEMBL895110

CC(NC(=O)O)NC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CTSK P43235 10/20 0.44
CTSS P25774 6/20 0.44
CYP2D6 P10635 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3484138 0.92 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL929382 0.79 CA1 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL18074389 0.78 CYP2D6 (0.38) CA1CA2CYP2D6GAACYP2C19
SCHEMBL7450234 0.78 CA14 (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL28912472 0.78 CA1 (0.52) CA1CA2CA7CTSKCTSS
SCHEMBL10669928 0.78 CA1 (0.52) CA1CA2CA7CTSKCTSS
SCHEMBL24069882 0.74 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL10652 0.74 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL19441856 0.74 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL2166916 0.74 CA1 (0.49) CA1CA2CA7CTSKCTSS

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 12 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-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US 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
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 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 (5 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 CA1 2354/4885CA2 1358/4885CA7 1747/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CA1 4829/4885CA2 3312/4885CA7 3393/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CA1 2354/4885CA2 1358/4885CA7 1747/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CA1 2354/4885CA2 1358/4885CA7 1747/4885
US-20140371175-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 CA1 2354/4885CA2 1358/4885CA7 1747/4885

“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.