SCHEMBL282085

SCHEMBL282085

CCOP(=O)(CN)OCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
PPARD Q03181 2/20 0.50
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34

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
Hydrochloric Acid SCHEMBL9329340 0.97 TSHR (0.57) TSHRPPARDTP53TDP1MEN1
Oxalic Acid SCHEMBL27997610 0.88 TSHR (0.48) TSHRPPARDTP53TDP1MEN1
Oxalic Acid SCHEMBL282616 0.88 TSHR (0.48) TSHRPPARDTP53TDP1MEN1
SCHEMBL479207 0.78 PPARD (0.58) TSHRPPARDTP53TDP1MEN1
SCHEMBL3485999 0.77 TSHR (0.60) TSHRPPARDTP53TDP1MEN1
Hydrochloric Acid SCHEMBL11686519 0.76 PPARD (0.56) TSHRPPARDTP53TDP1MEN1
SCHEMBL3780129 0.76 TSHR (0.75) TSHRPPARDTP53TDP1MEN1
SCHEMBL5961215 0.75 TSHR (1.00) TSHRPPARDTP53TDP1MEN1
SCHEMBL26483 0.75 TSHR (1.00) TSHRPPARDTP53TDP1MEN1
SCHEMBL282472 0.75 TSHR (0.67) TSHRPPARDTP53TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1155023-B1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO SPA (IT) 2005-03-02 EP claimed
JP-2003518131-A 2003-06-03 JP claimed
CN-1105117-C Pharmaceutical aminophosphonic acid derivatives SYMPHAR SA (CH) 2003-04-09 CN claimed
US-6509324-B1 Use as contrast agents in magnetic resonance imaging BRACCO S.P.A. (IT) 2003-01-21 US claimed
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2003-01-16 US claimed
EP-1155023-A1 CHELATING COMPOUNDS AND THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.p.A. (IT) 2001-11-21 EP claimed
WO-2001046207-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS BRACCO S.P.A. (IT) 2001-06-28 WO claimed
CN-1240451-A Pharmaceutical aminophosphonic acid derivatives SYMPHAR SA (CH) 2000-01-05 CN claimed
CN-1193913-A Compounds and pharmaceutical compositions containing them SYMPHAR SA (CH) 1998-09-23 CN claimed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US claimed
US-4022759-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US claimed
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-20250241109-A1 Electron Transporting Self-Assembling Monolayer Compound for Use in Optoelectronic and/or Photoelectrochemical Devices and Manufacture Thereof KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2025-07-24 US disclosed
EP-4590099-A1 ELECTRON TRANSPORTING SELF-ASSEMBLING MONOLAYER COMPOUND FOR USE IN OPTOELECTRONIC AND/OR PHOTOELECTROCHEMICAL DEVICES AND MANUFACTURE THEREOF Kaunas University of Technology (LT) 2025-07-23 EP disclosed
EP-4566608-A2 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2025-06-11 EP disclosed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4013813-A AMINOALKYLPHOSPHONIC ACID ESTER-BASED TEXTILE FIRE RETARDANTS LEBLANC RESEARCH CORPORATION (US) 1977-03-22 US disclosed
US-3962224-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS MERCK & CO., INC. (US) 1976-06-08 US disclosed
US-3947413-A ANTIBIOTICS MERCK & CO., INC. (US) 1976-03-30 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 (2 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-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 TSHR 680/4885PPARD 18/4885TP53 3873/4885
US-20030013859-A1 CHELATING COMPOUNDS, THEIR COMPLEXES WITH PARAMAGNETIC METALS MPI, SLC39A14, LRPPRC TSHR 959/4885PPARD 2059/4885TP53 1942/4885

“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.