SCHEMBL740392

SCHEMBL740392

O=C(O)c1ccc(C[C@H](NC(F)F)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
FOLH1 Q04609 4/20 0.47
MME P08473 1/20 0.47
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
PTPN1 P18031 2/20 0.44
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.42
ACACB O00763 1/20 0.41

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
SCHEMBL9847998 0.85 FOLH1 (0.54) L3MBTL1MEN1KMT2AFOLH1MME
SCHEMBL9847993 0.85 FOLH1 (0.54) L3MBTL1MEN1KMT2AFOLH1MME
SCHEMBL3506387 0.84 MME (0.58) L3MBTL1FOLH1MMEALDH1A1
SCHEMBL3506385 0.84 MME (0.58) L3MBTL1FOLH1MMEALDH1A1
SCHEMBL3705739 0.80 MME (0.43) L3MBTL1MMEPTPN1CA2ALDH1A1
SCHEMBL9545901 0.80 MME (0.43) L3MBTL1MMEPTPN1CA2ALDH1A1
SCHEMBL3705736 0.80 MME (0.43) L3MBTL1MMEPTPN1CA2ALDH1A1
SCHEMBL25356249 0.79 TDP1 (0.57) L3MBTL1MEN1KMT2ATDP1FOLH1
SCHEMBL27095768 0.79 TDP1 (0.57) L3MBTL1MEN1KMT2ATDP1FOLH1
SCHEMBL458048 0.79 TDP1 (0.57) L3MBTL1MEN1KMT2ATDP1FOLH1

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 37 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
EP-2267029-B1 Methods and compositions for treatment of inflammatory disease using Cadherin-11 modulating agents BRIGHAM & WOMENS HOSPITAL (US) 2016-06-15 EP 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-20040009176-A1 Methods and compositions for treatment of inflammatory disease using cadherin-11 modulating agents THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2004-01-15 US disclosed
WO-2003096877-A2 PREVENTION AND TREATMENT OF STREPTOCOCCAL AND STAPHYLOCOCCAL INFECTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2003-11-27 WO disclosed
US-20030105000-A1 Methods and compositions for inhibiting GRB7 UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2003-06-05 US disclosed
US-20030013643-A1 Prevention and treatment of streptococcal and staphylococcal infection BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2003-01-16 US disclosed
WO-2001017557-A9 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS BRIGHAM & WOMENS HOSPITAL (US) 2002-09-12 WO disclosed
EP-1207905-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-05-29 EP disclosed
WO-2002036142-A2 COMPOSITIONS FOR INHIBITING GRB7 UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2002-05-10 WO disclosed
US-20020055488-A1 Prevention and treatment of streptococcal and staphylococcal infection BRIGHAM AND WOMEN'S HOSPITAL, INC., THE 2002-05-09 US disclosed
WO-2002024223-A2 PREVENTION AND TREATMENT OF STREPTOCOCCAL AND STAPHYLOCOCCAL INFECTION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2002-03-28 WO disclosed
WO-2001017557-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF INFLAMMATORY DISEASE USING CADHERIN-11 MODULATING AGENTS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2001-03-15 WO 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-20120129159-A1 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES LARS1, ACSL5, RARS1 L3MBTL1 77/4885MEN1 2187/4885KMT2A 2296/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 L3MBTL1 317/4885MEN1 275/4885KMT2A 914/4885

“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.