SCHEMBL381305

SCHEMBL381305

Cc1cc(=O)oc2c(F)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.58
CA9 Q16790 6/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 2/20 0.58
KMT2A Q03164 3/20 0.52
CA7 P43166 2/20 0.50
CA13 Q8N1Q1 2/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.47
EPHX2 P34913 1/20 0.47
SOST Q9BQB4 1/20 0.44
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2C19 P33261 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2216616 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL22078960 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL30434987 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL2287566 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL8570406 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL24426595 1.00 CA12 (0.58) CA12CA9CA1CA2KMT2A
SCHEMBL26356083 0.86 KMT2A (0.62) CA12CA9CA1CA2KMT2A
SCHEMBL16098409 0.86 KMT2A (0.50) CA12CA9CA1CA2KMT2A
SCHEMBL3074305 0.86 KMT2A (0.50) CA12CA9CA1CA2KMT2A
SCHEMBL23479723 0.85 KMT2A (0.55) CA12CA9CA1CA2KMT2A

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 21 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
EP-2825261-A1 POLYPEPTIDES AND THEIR USE Novabiotics Limited (GB) 2015-01-21 EP disclosed
US-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 US disclosed
US-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 US disclosed
WO-2013148189-A1 PROBE INCORPORATION MEDIATED BY ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-03 WO disclosed
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 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-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-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 US disclosed
EP-2408783-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES University Of Nottingham (GB) 2012-01-25 EP disclosed
WO-2010106347-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES UNIVERSITY OF NOTTINGHAM (GB) 2010-09-23 WO disclosed
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-06-11 US disclosed
WO-2009064366-A2 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-05-22 WO disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-20050233389-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-20 US disclosed
US-20040209317-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-10-21 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 (5 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 CA12 4555/4885CA9 4473/4885CA1 4000/4885
US-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL CA12 3970/4885CA9 4481/4885CA1 3860/4885
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L CA12 3329/4885CA9 4783/4885CA1 4710/4885
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases HLCS, ACSL5, ACSL1 CA12 3961/4885CA9 3325/4885CA1 3341/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 CA12 1081/4885CA9 1554/4885CA1 358/4885

“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.