SCHEMBL66871

SCHEMBL66871

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.59
POLB P06746 3/20 0.54
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC8 Q9BY41 2/20 0.49
PTPN1 P18031 3/20 0.49
CHEK1 O14757 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL29707284 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL29401053 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL66872 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL14067913 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL2080858 1.00 ACE (0.59) ACEPOLBTDP1L3MBTL1HDAC8
SCHEMBL6240970 0.87 PTPN1 (0.48) ACEHDAC8PTPN1
SCHEMBL1791198 0.87 UCHL1 (0.48) ACEPOLBTDP1
SCHEMBL26748805 0.87 ACE (0.57) ACEPOLBTDP1L3MBTL1CHEK1
SCHEMBL21490343 0.86 PTPN1 (0.65) HDAC8PTPN1
SCHEMBL29443079 0.86 PTPN1 (0.65) HDAC8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024511-A Novel coronavirus-resistant peptidomimetic compound and preparation method thereof 烟台大学 2023-11-10 CN claimed
CN-103450338-B The Thymopentin that heterocyclic carboxylic acid is modified, it prepares, antitumor action and application 首都医科大学 2016-08-24 CN claimed
CN-103304687-B The preparations and applicatio of-6-(3 ' S-tetrahydroisoquinoline-3 '-formamido group)-6-deoxidation-beta-schardinger dextrin-entirely Capital Medical University (CN) 2016-04-20 CN claimed
CN-103450344-B Tetrahydroisoquinoline-3-carboxylic acid modify LARGD seven peptide, its synthesis, antithrombotic acitivity and application Capital Medical University (CN) 2016-03-30 CN claimed
CN-103450340-B The antineoplastic oligopeptide that heterocyclic carboxylic acid is modified, its synthesis, antitumor action and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450342-B Tetrahydroisoquinoline-3-carboxylic acid modify PARGD seven peptide, its synthesis, antithrombotic acitivity and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450343-B Tetrahydroisoquinoline-3-carboxylic acid modify TARGD seven peptide, its synthesis, antithrombotic acitivity and application Capital Medical University (CN) 2015-08-05 CN claimed
CN-103450343-A Tetrahydroisoquinolinyl-3-carboxylic acid modified TARGD heptapeptides, and synthesis, antithrombotic activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450340-A Heterocyclic carboxylic acid-modified anti-tumor oligopeptides and their synthesis, anti-tumor effects and application UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450344-A Tetrahydroisoquinolinyl-3-carboxylic acid modified LARGD heptapeptides, and synthesis, antithrombotic activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450338-A Heterocyclic carboxylic acid-modified thymopentins and their preparation method, anti-tumor effect and use UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103450342-A Tetrahydroisoquinolinyl-3-carboxylic acid modified PARGD heptapeptides, and synthesis, antithrombotic activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-12-18 CN claimed
CN-103304687-A Preparation of full-6-(3'S-tetrahydroisoquinolin-3'-formylamino)-6-deoxy-beta-cyclodextrin and application UNIV CAPITAL MEDICAL SCIENCES 2013-09-18 CN claimed
CN-101899084-B (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid kyrine conjugate, preparation method and application thereof UNIV CAPITAL MEDICAL 2012-09-05 CN claimed
CN-101899084-A (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid kyrine conjugate, preparation method and application thereof UNIV CAPITAL MEDICAL 2010-12-01 CN claimed
CN-101190895-B N-[(3S)-1,2,3,4-tetrahydroisoquinolino-3-formacyl]amino acid, preparation method and application thereof CAPITAL UNIVERSITY OF MEDICAL SCIENCES 2010-05-26 CN claimed
CN-101190895-A N-[(3S)-1,2,3,4-tetrahydroisoquinolino-3-formacyl]amino acid, preparation method and application thereof UNIV CAPITAL MEDICAL SCIENCES (CN) 2008-06-04 CN claimed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
WO-1993001174-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE AS ANTI-VIRAL COMPOUNDS GLAXO GROUP LIMITED (GB) 1993-01-21 WO disclosed
US-4965250-A TETRAPEPTIDE; IMMUNE SYSTEM ACTIVATION ADIR ET CIE (FR) 1990-10-23 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 (1 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 ACE 1944/4885POLB 948/4885TDP1 720/4885

“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.