SCHEMBL2401751

SCHEMBL2401751

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CTSK P43235 11/20 0.46
CTSS P25774 6/20 0.46
CYP2D6 P10635 1/20 0.45
CTSL P07711 3/20 0.44
CTSB P07858 2/20 0.44
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL2357252 1.00 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL8136033 1.00 CA1 (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL22372492 0.87 KMT2A (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL22372493 0.87 KMT2A (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL24069882 0.82 CA1 (0.57) CA1CA2CA7CTSKCTSS
SCHEMBL1106536 0.82 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL4217171 0.82 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL29610548 0.82 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL1164017 0.82 CTSK (0.53) CA1CA2CA7CTSKCTSS
SCHEMBL2563210 0.82 CTSK (0.53) 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US claimed
CN-107266681-A Amine polymer as bile acid sequestrant 瑞立普萨公司 2017-10-20 CN claimed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US claimed
EP-2998329-A2 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2016-03-23 EP claimed
US-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2016-02-25 US claimed
CN-105017481-A Crosslinked polyvrnylamine, poly all ylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA INC 2015-11-04 CN claimed
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US claimed
EP-2539389-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP claimed
EP-2539380-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS Relypsa, Inc. (US) 2013-01-02 EP claimed
WO-2011106548-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 WO claimed
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-07 US claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed
JP-2007504176-A 2007-03-01 JP claimed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO claimed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
EP-1674454-A1 SUBSTITUTED 2-AMINO- 1,2,4 TRIAZOLO 1,5-a PYRIMIDINE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-06-28 EP claimed
EP-1663993-A1 GUANIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-07 EP claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 WO claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 CA1 4464/4885CA2 4395/4885CA7 3860/4885
US-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR CA1 4362/4885CA2 3288/4885CA7 4727/4885
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CA1 4256/4885CA2 3436/4885CA7 3172/4885
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 CA1 2263/4885CA2 1256/4885CA7 3350/4885
US-20070129383-A1 Substituted 2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivative and use thereof ADORA1, ADORA2B, ADORA3 CA1 3471/4885CA2 1359/4885CA7 2361/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 CA1 4464/4885CA2 4395/4885CA7 3860/4885
US-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 CA1 1094/4885CA2 365/4885CA7 1812/4885

“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.