SCHEMBL895375

SCHEMBL895375

CON(C)C(=O)C1CCC(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.66
EPHX1 P07099 1/20 0.53
DPP4 P27487 6/20 0.49
DPP7 Q9UHL4 6/20 0.49
KCNH2 Q12809 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ACHE P22303 2/20 0.49
CPB1 P15086 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2016601 1.00 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL895376 1.00 ALDH1A1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3374799 0.89 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3374795 0.89 ALDH1A1 (0.74) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL20683505 0.86 ALDH1A1 (0.63) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL6475964 0.84 ALDH1A1 (0.47) ALDH1A1GAATSHRCPB1CTSL
SCHEMBL6475969 0.84 ALDH1A1 (0.47) ALDH1A1GAATSHRCPB1CTSL
SCHEMBL9885094 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL15944807 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL7286285 0.84 ALDH1A1 (0.78) ALDH1A1GAATSHREPHX1DPP4

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 27 patents — showing the first 20. 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
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-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-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 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
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 WO disclosed
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US disclosed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US disclosed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP disclosed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S ALDH1A1 2967/4885GAA 4605/4885TSHR 543/4885
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ALDH1A1 1326/4885GAA 694/4885TSHR 634/4885
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 ALDH1A1 113/4885GAA 782/4885TSHR 1682/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ALDH1A1 1326/4885GAA 694/4885TSHR 634/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 ALDH1A1 1326/4885GAA 694/4885TSHR 634/4885

“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.