SCHEMBL382039

SCHEMBL382039

O=c1oc2ccccc2cc1P

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TYR P14679 1/20 0.60
DAO P14920 1/20 0.60
AKR1B1 P15121 1/20 0.60
POLB P06746 1/20 0.60
MAOB P27338 6/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 5/20 0.56
RAB9A P51151 3/20 0.56
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA1 P00915 2/20 0.55
CA3 P07451 1/20 0.55
TSHR P16473 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
GPR35 Q9HC97 1/20 0.55

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
SCHEMBL29517170 0.78 RAB9A (0.78) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL4632815 0.77 HPGD (0.62) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL3082095 0.75 MAOB (0.63) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL9643651 0.75 HPGD (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL4336341 0.75 SMN1; SMN2 (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL428053 0.75 HPGD (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL2016273 0.75 HPGD (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL1871083 0.75 HPGD (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL30023 0.75 HPGD (0.60) HPGDSMN1; SMN2TYRDAOAKR1B1
SCHEMBL95179 0.75 SMN1; SMN2 (1.00) HPGDSMN1; SMN2TYRDAOAKR1B1

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 22 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-8871456-B2 Probe incorporation mediated by enzymes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-10-28 US disclosed
US-8759482-B2 Kinetically efficient substrate for lipoic acid ligase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-06-24 US 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-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 US disclosed
WO-2011049937-A1 KINETICALLY EFFICIENT SUBSTRATE FOR LIPOIC ACID LIGASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-28 WO disclosed
WO-2010106347-A2 BIOMOLECULAR LABELLING USING MULTIFUNCTIONAL BIOTIN ANALOGUES UNIVERSITY OF NOTTINGHAM (GB) 2010-09-23 WO disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 US 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 US disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
WO-2005103705-A2 CHEMOSELECTIVE FLUOROGENIC MOLECULAR LINKERS AND METHODS OF THEIR PREPARATION AND USE UNIVERSITY OF SOUTH CAROLINA (US) 2005-11-03 WO 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 (6 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 HPGD 1459/4885SMN1; SMN2 4145/4885TYR 3153/4885
US-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL HPGD 2945/4885SMN1; SMN2 4441/4885TYR 1892/4885
US-20120083599-A1 Biomolecular Labelling Using Multifunctional Biotin Analogues BTD, URB2, RAET1L HPGD 2866/4885SMN1; SMN2 4607/4885TYR 2342/4885
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK HPGD 4259/4885SMN1; SMN2 4521/4885TYR 237/4885
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases HLCS, ACSL5, ACSL1 HPGD 2250/4885SMN1; SMN2 4045/4885TYR 2620/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 HPGD 3370/4885SMN1; SMN2 4259/4885TYR 2480/4885

“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.