SCHEMBL3073891

SCHEMBL3073891

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.37
DPP4 P27487 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
EPHX1 P07099 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
SCHEMBL10076581 0.87 ALDH1A1 (0.41) CA12CA1CA2MMP1MMP2
SCHEMBL26333052 0.85 ALDH1A1 (0.39) CA12CA1CA2MMP1MMP2
SCHEMBL4433675 0.85 ALDH1A1 (0.39) CA12CA1CA2MMP1MMP2
SCHEMBL4542341 0.83
SCHEMBL584224 0.83
SCHEMBL8300125 0.83
SCHEMBL13199771 0.81 CA12 (0.40) CA12CA1CA2MMP1MMP2
SCHEMBL1715750 0.81
SCHEMBL5018134 0.81 ALDH1A1 (0.37) CA12CA1CA2MMP1MMP2
SCHEMBL12213909 0.81 POLB (0.46) CA12CA1CA2MMP1MMP2

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
EP-4249480-A1 DIPHENYLPYRAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Northwest A&F University (CN) 2023-09-27 EP disclosed
US-20230273354-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR TREATING HYPERKALEMIA ARDELYX, INC. (US) 2023-08-31 US disclosed
US-20230031776-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2023-02-02 US disclosed
US-11318129-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2022-05-03 US disclosed
CN-111777553-B Preparation method of isoquinoline compounds 苏州大学 2022-03-18 CN disclosed
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2021-06-24 US disclosed
EP-3212705-B1 OXALIC ACID DIAMIDES AS MODIFIERS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2021-03-10 EP disclosed
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2021-03-09 US disclosed
US-20200368223-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2020-11-26 US disclosed
US-20030148188-A1 Active materials in the positive electrodes of batteries. Novel methods for preparing the tetraketopiperazine unit-containing compounds include: (i) reacting an oxalyl halide and an oxamide, and adding water or an aqueous alkali IM&T RESEARCH, INC. 2003-08-07 US disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-0309619-B1 RADIATION SENSITIVE ACRYLATE COMPOSITION Polychrome Corporation (US) 1993-01-27 EP disclosed
EP-0338386-B1 NEW METHOD OF PREPARATION OF OXALIC ACID ESTERS AND AMIDES Enichem Anic S.r.l. (IT) 1992-09-02 EP disclosed
US-4981963-A Method of preparation of oxalic acid esters and amides ENICHEM ANIC S.P.A. (IT) 1991-01-01 US disclosed
EP-0338386-A1 New method of preparation of oxalic acid esters and amides Enichem Anic S.r.l. (IT) 1989-10-25 EP disclosed
EP-0309619-A1 Radiation sensitive acrylate composition Polychrome Corporation (US) 1989-04-05 EP disclosed
US-4782005-A N,N'-diorgano dicarboxamides as oxygen inhibitors in radiation sensitive acrylate compositions POLYCHROME CORP. (US) 1988-11-01 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 (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-20200368223-A1 METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 CA12 1158/4885CA1 781/4885CA2 101/4885
US-20230031776-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP3 CA12 2144/4885CA1 2173/4885CA2 584/4885
US-11318129-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 CA12 2144/4885CA1 2173/4885CA2 584/4885
US-10940146-B2 NHE3-binding compounds and methods for inhibiting phosphate transport SLC34A3, SLC34A2, SLC34A1 CA12 1517/4885CA1 938/4885CA2 126/4885
US-20230273354-A1 GLYCYRRHETINIC ACID DERIVATIVES FOR TREATING HYPERKALEMIA GRHPR, REN, GRK5 CA12 1446/4885CA1 1127/4885CA2 168/4885
US-20210186953-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 CA12 1517/4885CA1 938/4885CA2 126/4885
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP3 CA12 2144/4885CA1 2173/4885CA2 584/4885

“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.