SCHEMBL681950

SCHEMBL681950

CC(C)(C)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
BTN3A1 O00481 5/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ELANE P08246 4/20 0.37
ENO1 P06733 1/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL434232 0.92 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL8716409 0.89 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL6840326 0.89 ALDH1A1 (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL203641 0.89 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA
Bis(Pivaloyloxymethyl) Succinate SCHEMBL3123390 0.89 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL4482845 0.89 GAA (0.46) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL5534787 0.88 PRKCA (0.43) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL8893353 0.87 PRKCA (0.39) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL8893364 0.87 PRKCA (0.44) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL7373371 0.87 PRKCA (0.39) PRKCABTN3A1ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US claimed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US claimed
EP-1724276-A1 Novel phosphorus-containing prodrugs Metabasis Therapeutics, Inc. (US) 2006-11-22 EP claimed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 US claimed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP claimed
US-6312662-B1 CONVERSION BY HUMAN LIVER MICROSOMES TO MPO3H2 METABASIS THERAPEUTICS, INC. 2001-11-06 US claimed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP claimed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 WO claimed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO claimed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO claimed
US-5202462-A Catalytic reaction of metal salt of pivalic acid with dihalomethane in presence of phase transfer catalyst IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-04-13 US claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed
US-11932664-B2 Prodrugs of prostate specific membrane antigen (PSMA) inhibitor THE JOHNS HOPKINS UNIVERSTY (US) 2024-03-19 US disclosed
US-20230115651-A1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-13 US disclosed
US-11325931-B2 Prodrugs of prostate specific membrane antigen (PSMA) inhibitor THE JOHNS HOPKINS UNIVERSITY (US) 2022-05-10 US disclosed
EP-3177632-B1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR UNIV JOHNS HOPKINS (US) 2022-01-12 EP disclosed
US-4427835-A POLYMER BACKBONE WITH UNSATURATED PENDANT GROUPS, VINYL OR ALLYL ITACONATE THE PROCTER & GAMBLE COMPANY (US) 1984-01-24 US disclosed
US-4340603-A N-(2-PHENYLETHYL)-W-PHENYLALKYLAMINES INTERX RESEARCH CORPORATION (US) 1982-07-20 US disclosed
US-4313956-A Novel sypathomimetic amine prodrugs INTERX RESEARCH CORP. (US) 1982-02-02 US disclosed
US-4311706-A ADRENERGIC STIMULANTS INTERX RESEARCH CORPORATION (US) 1982-01-19 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-11325931-B2 Prodrugs of prostate specific membrane antigen (PSMA) inhibitor FOLH1, KLK3, DNPEP PRKCA 2966/4885BTN3A1 1897/4885ALDH1A1 796/4885
US-20230115651-A1 PRODRUGS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITOR FOLH1, KLK3, DNPEP PRKCA 2959/4885BTN3A1 1820/4885ALDH1A1 718/4885
US-11932664-B2 Prodrugs of prostate specific membrane antigen (PSMA) inhibitor FOLH1, KLK3, DNPEP PRKCA 2966/4885BTN3A1 1897/4885ALDH1A1 796/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK PRKCA 3271/4885BTN3A1 2763/4885ALDH1A1 2794/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 PRKCA 1768/4885BTN3A1 3920/4885ALDH1A1 2369/4885

“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.