SCHEMBL1440952

SCHEMBL1440952

O=C(NC(CC1CC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.59
TDO2 P48775 1/20 0.59
CTSK P43235 7/20 0.58
CTSB P07858 4/20 0.58
CTSL P07711 3/20 0.58
CTSS P25774 2/20 0.58
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
ITGAV P06756 1/20 0.53
CASP1 P29466 2/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
TACR1 P25103 2/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL1440950 1.00 IDO1 (0.59) IDO1TDO2CTSKCTSBCTSL
SCHEMBL6897897 1.00 IDO1 (0.59) IDO1TDO2CTSKCTSBCTSL
SCHEMBL25282429 0.95 CTSK (0.65) IDO1TDO2CTSKCTSBCTSL
SCHEMBL15649121 0.95 CTSK (0.62) IDO1TDO2CTSKCTSBCTSL
SCHEMBL25282430 0.95 CTSK (0.65) IDO1TDO2CTSKCTSBCTSL
SCHEMBL22122405 0.95 CTSK (0.62) IDO1TDO2CTSKCTSBCTSL
SCHEMBL28546631 0.93 CTSK (0.67) IDO1TDO2CTSKCTSBCTSL
SCHEMBL4800376 0.93 CTSK (0.67) IDO1TDO2CTSKCTSBCTSL
SCHEMBL4622697 0.93 CTSK (0.67) IDO1TDO2CTSKCTSBCTSL
SCHEMBL7469120 0.89 CTSK (0.59) IDO1CTSKCTSBCTSLCTSS

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections HOFFMANN-LA ROCHE INC. (US) 2024-08-13 US disclosed
CN-117136178-A SARS-COV-2 Mpro inhibitor compounds 赫帕雷斯治疗有限公司 2023-11-28 CN disclosed
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
CN-116438160-A Carbamoyl compounds for the treatment of viral infections 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-4204393-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2023-07-05 EP disclosed
WO-2022043374-A1 AMINOCARBAMOYL COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2022-03-03 WO disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 WO disclosed
EP-0629627-B1 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-5627278-A MULTISTAGE REACTION FORMED BY AMIDATION, COUPLING AND REDUCTION BRISTOL-MYERS SQUIBB CO. (US) 1997-05-06 US disclosed
US-5508272-A SELECTIVE ACE INHIBITORS, HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0629627-A2 Bicyclic carboxylic acids and their derivatives as nep and aca inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-21 EP 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 IDO1 3948/4885TDO2 3742/4885CTSK 4046/4885
US-12060333-B2 Aminocarbamoyl compounds for the treatment of viral infections SARS1, BCAT1, SLC1A5 IDO1 3092/4885TDO2 4194/4885CTSK 2290/4885

“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.