SCHEMBL914889

SCHEMBL914889

CCOP(=O)(OCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
BCHE P06276 1/20 0.61
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.49
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
AKR1C3 P42330 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 1/20 0.45
MAPT P10636 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
BCL9 O00512 1/20 0.41

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
SCHEMBL22340336 0.85 CA1 (0.61) ACHECA1CA2BCHEALDH1A1
SCHEMBL10259986 0.84 ACHE (0.59) ACHECA1CA2BCHEALDH1A1
SCHEMBL11340660 0.83 ACHE (0.58) ACHECA1CA2BCHEALDH1A1
SCHEMBL916414 0.83 CA1 (0.58) ACHECA1CA2BCHEALDH1A1
SCHEMBL6829825 0.82 TDP1 (0.49) ACHECA1CA2TSHRNPSR1
SCHEMBL917312 0.80 NPSR1 (0.78) ACHECA1CA2BCHEALDH1A1
SCHEMBL31688370 0.80 NPSR1 (0.78) ACHECA1CA2BCHEALDH1A1
SCHEMBL5663666 0.79 CA1 (0.54) ACHECA1CA2BCHEALDH1A1
SCHEMBL916038 0.77 NPSR1 (0.52) ACHECA1CA2BCHEALDH1A1
SCHEMBL1491791 0.77 NPSR1 (0.46) ACHECA1CA2BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367188-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) 2025-12-04 US disclosed
US-20250298333-A1 POLYESTER RESIN COMPOSITION, ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER, DEVELOPER, AND IMAGE FORMING METHOD Konica Minolta, Inc. (JP) 2025-09-25 US disclosed
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
US-20240366590-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. 2024-11-07 US disclosed
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
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
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
CN-115916966-A STRAD binding agents and uses thereof 加利福尼亚大学董事会 2023-04-04 CN 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-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-7115589-B2 Purine derivatives ARIAD PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1259520-B1 NOVEL PURINES ARIAD PHARMA INC (US) 2006-05-24 EP disclosed
US-20050096298-A1 Novel perines METCALF CHESTER A III (US) 2005-05-05 US disclosed
EP-1259520-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2002-11-27 EP disclosed
EP-1244679-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-02 EP disclosed
US-20020132819-A1 Novel purinse ARIAD PHARMACETICALS, INC. 2002-09-19 US disclosed
WO-2001044260-A9 NOVEL PURINES ARIAD PHARMA INC (US) 2002-07-04 WO disclosed
US-20020068721-A1 Purine derivatives ARIAD PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2001044260-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO disclosed
WO-2001044259-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 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 (8 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-20050096298-A1 Novel perines PNP, ENTPD5, NT5C2 ACHE 3905/4885CA1 4420/4885CA2 4654/4885
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 ACHE 3283/4885CA1 2173/4885CA2 584/4885
US-20020068721-A1 Purine derivatives HPRT1, PNP, TYMP ACHE 4033/4885CA1 4329/4885CA2 4506/4885
US-20020132819-A1 Novel purinse PURB, NUDT15, NT5C2 ACHE 4645/4885CA1 4865/4885CA2 4826/4885
US-20240366590-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 ACHE 3283/4885CA1 2173/4885CA2 584/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR ACHE 1110/4885CA1 3508/4885CA2 2899/4885
US-20250367188-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 ACHE 3283/4885CA1 2173/4885CA2 584/4885
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 ACHE 3283/4885CA1 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.