SCHEMBL2402235

SCHEMBL2402235

CC(C)(C)OC(=O)NC([C]=O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSK P43235 8/20 0.60
CTSB P07858 4/20 0.60
CTSL P07711 2/20 0.60
ATM Q13315 1/20 0.59
ACE P12821 1/20 0.54
KLK5 Q9Y337 1/20 0.50
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
APP P05067 1/20 0.48

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
SCHEMBL3922795 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL6292769 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL5050550 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL7295855 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL7295862 0.90 CTSS (0.69) CTSSCTSKCTSBCTSLATM
SCHEMBL11567443 0.89 PTPN1 (0.57) CTSSCTSKCTSBCTSLATM
SCHEMBL11210637 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL11199973 0.88 CTSS (0.54) CTSSCTSKCTSBCTSLATM
SCHEMBL17865714 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL7151519 0.87 CTSS (0.59) CTSSCTSKCTSBCTSLATM

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 34 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
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
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP 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
WO-2011106542-A2 CROSSLINKED POLYVRNYLAMINE, POLY ALL YLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. (US) 2011-09-01 WO claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US claimed
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants RELYPSA, INC. (US) 2019-04-30 US disclosed
EP-2539389-B1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA INC (US) 2017-12-20 EP disclosed
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS RELYPSA, INC. 2017-09-14 US disclosed
US-9655920-B2 Amine polymers for use as bile acid sequestrants RELYPSA, INC. (US) 2017-05-23 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 US disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
US-4189426-A POLYPEPTIDE HOFFMANN-LA ROCHE, INC. (US) 1980-02-19 US disclosed
US-3975367-A PEPTIDE, VIRICIDE, IMMUNOSUPPRESSANT, NEOPLASTIC CELLS THE UPJOHN COMPANY (US) 1976-08-17 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 (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-20160051576-A1 CROSSLINKED POLYVINYLAMINE, POLYALLYLAMINE, AND POLYETHYLENEIMINE FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, GPBAR1 CTSS 4308/4885CTSK 4156/4885CTSB 4421/4885
US-20170258825-A1 AMINE POLYMERS FOR USE AS BILE ACID SEQUESTRANTS NR1H4, SLC10A2, SLC10A1 CTSS 2494/4885CTSK 3267/4885CTSB 3144/4885
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA CTSS 2149/4885CTSK 1802/4885CTSB 1503/4885
US-10272103-B2 Crosslinked polyvinylamine, polyallylamine, and polyethyleneimine for use as bile acid sequestrants NR1H4, SLC10A2, GPBAR1 CTSS 4308/4885CTSK 4156/4885CTSB 4421/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 CTSS 1819/4885CTSK 1259/4885CTSB 1263/4885

“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.