Sugi Predict

Sugi Predict / Compounds / SCHEMBL380893

SCHEMBL380893

SCHEMBL380893

O=C(NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ TSHR P16473 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.52
▸ KDM1A O60341 1/20 0.51
▸ RCOR1 Q9UKL0 1/20 0.51
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ GFER P55789 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL21132729 0.87 PREP (0.59) PREPNPSR1ALDH1A1TSHRKDM4E
SCHEMBL4613461 0.86 NPSR1 (0.73) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL5264694 0.85 PREP (0.55) PREPNPSR1ALDH1A1KDM4ELMNA
SCHEMBL9488428 0.84 NPSR1 (0.58) NPSR1ALDH1A1TSHRKDM4ELMNA
SCHEMBL31385609 0.84 PREP (0.54) PREPNPSR1ALDH1A1TSHRKDM4E
SCHEMBL562368 0.84 LMNA (0.56) PREPNPSR1ALDH1A1TSHRKDM4E
SCHEMBL29004401 0.84 LMNA (0.56) PREPNPSR1ALDH1A1TSHRKDM4E
SCHEMBL9489896 0.84 PREP (0.56) PREPNPSR1ALDH1A1USP2
SCHEMBL12272394 0.82 PREP (0.66) PREPNPSR1ALDH1A1TSHRKDM4E
SCHEMBL11764594 0.82 PREP (0.71) PREPALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-01 — — US disclosed
WO-2017095806-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-08 — — WO disclosed
US-9284541-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-15 — — US disclosed
US-20150125904-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-07 — — US disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 — — US disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 — — WO disclosed
WO-2013052851-A1 METHODS AND COMPOSITIONS FOR POLYPEPTIDE AND PROTEIN LABELING USING LIPOIC ACID LIGASES SPECIFIC TO RESORUFIN MASSACHUSETTS INISTITUTE OF TECHNOLOGY (US) 2013-04-11 — — WO disclosed
US-20120214201-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-08-23 — — US disclosed
US-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-24 — — US disclosed
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues UNIVERSITY OF NOTTINGHAM (GB) 2012-04-05 — — US disclosed
US-4873342-A ANTI-AMNESIC AGENT SUNTORY LIMITED (JP) 1989-10-10 — — US disclosed
US-4826870-A CURING AMNESIA SUNTORY LIMITED (JP) 1989-05-02 — — US disclosed
US-4772587-A ANTIAMMESIA AGENT, PROLYL ENDOPEPTIDASE INHIBITOR SUNTORY LIMITED (JP) 1988-09-20 — — US disclosed
US-4757083-A Enzyme inhibitors SUNTORY LIMITED (JP) 1988-07-12 — — US disclosed
US-4743616-A ANTIAMNESIA AGENTS SUNTORY LIMITED (JP) 1988-05-10 — — US disclosed
US-4701465-A ANTI-AMNESIC AGENTS SUNTORY LIMITED (JP) 1987-10-20 — — US disclosed
EP-0232849-A2 Pyrrolidineamide derivative of acylamino acid, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-08-19 — — EP disclosed
EP-0224272-A1 Pyrrolidinylamide ester derivative having anti-prolyl endopeptidase activity, its synthesis and use and a pharmaceutical composition containing it SUNTORY LIMITED (JP) 1987-06-03 — — EP disclosed
EP-0201741-A2 Dipeptide derivatives, processes for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1986-11-20 — — EP disclosed
EP-0201743-A2 Dipeptide derivatives of fatty acids, process for preparing them, pharmaceutical composition and use SUNTORY LIMITED (JP) 1986-11-20 — — 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 (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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 PREP 808/4885NPSR1 4521/4885ALDH1A1 1936/4885
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L PREP 1091/4885NPSR1 2893/4885ALDH1A1 260/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 PREP 313/4885NPSR1 3699/4885ALDH1A1 1130/4885

“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.