SCHEMBL828672

SCHEMBL828672

C[C@H](C[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C(=O)O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.75

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
SCHEMBL11196761 1.00 ACE (0.75) ACE
Water SCHEMBL11075523 0.99 ACE (0.73) ACE
SCHEMBL11171425 0.88 ACE (0.76) ACE
Pentopril SCHEMBL109520 0.87 ACE (0.67) ACE
Pentopril SCHEMBL1133661 0.87 ACE (0.67) ACE
Pentopril SCHEMBL7266503 0.87 ACE (0.67) ACE
Pentopril SCHEMBL109521 0.87 ACE (0.67) ACE
Pentopril SCHEMBL7266499 0.87 ACE (0.67) ACE
SCHEMBL10813979 0.86 ACE (0.57) ACE
SCHEMBL10811917 0.86 ACE (0.66) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US claimed
US-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS XONOPORT, INC. (US) 2008-10-16 US claimed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 US claimed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20130017248-A1 Cationic Liposomes And Method of Use Life Technologies Corporation (US) 2013-01-17 US disclosed
US-8143437-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. (US) 2012-03-27 US disclosed
US-8017776-B2 Methods for synthesis of acyloxyalkyl compounds XENOPORT, INC. (US) 2011-09-13 US disclosed
US-7919454-B2 Methods of treating using conjugates transported by a PEPT2 transporter XENOPORT, INC. (US) 2011-04-05 US disclosed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-7727976-B2 Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs XENOPORT, INC. (US) 2010-06-01 US disclosed
US-5660851-A COVALENT ATTACHMENTOF A CARBOXYLIC ACID-CONTAINING ACTIVE MATERIAL THROUGH ANHYDRIDE BONDS TO A POLYMER THAT CONTAINS PENDANT CARBOXYLIC ACID GROUPS; DRUG DELIVERY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIV. OF JERUSALEM (IL) 1997-08-26 US disclosed
US-5073641-A PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1991-12-17 US disclosed
EP-0278977-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS. BUNDGAARD HANS (DK) 1988-08-24 EP disclosed
WO-1988001615-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1988-03-10 WO disclosed
EP-0105919-B1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
US-4479963-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-10-30 US disclosed
EP-0105919-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES. CIBA GEIGY AG (CH) 1984-04-25 EP disclosed
WO-1983003828-A1 1-CARBOXYALKANOYLPERHYDROINDOLE-2-CARBOXYLIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1983-11-10 WO disclosed
US-4374847-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-02-22 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 (3 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-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS ABCB11, ABCB1, SLC10A1 ACE 1044/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS ACE 1148/4885
US-20130017248-A1 Cationic Liposomes And Method of Use CLTB, AGBL2, CLTC ACE 4724/4885

“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.