SCHEMBL740187

SCHEMBL740187

CC(CCCCCC(=O)O)N=NC(C)CCCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTK1 Q9Y2Q3 2/20 0.53
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
FFAR4 Q5NUL3 2/20 0.52
FFAR1 O14842 2/20 0.52
ALDH1A1 P00352 3/20 0.50
GPR84 Q9NQS5 6/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 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
SCHEMBL6392721 0.85 GSTK1 (0.52) GSTK1TSHRLMNANFKB1PMP22
SCHEMBL22206272 0.81 GABRP (0.54) GSTK1TSHRLMNAPMP22HSD17B10
SCHEMBL22206271 0.81 GABRP (0.54) GSTK1TSHRLMNAPMP22HSD17B10
SCHEMBL9405656 0.79 TSHR (0.60) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL3137343 0.79 TSHR (0.60) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL9405636 0.79 TSHR (0.60) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL19940379 0.79 TSHR (0.60) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL399776 0.79 KDM4C (0.63) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL15489 0.79 KDM4C (0.63) TSHRLMNANFKB1PMP22FFAR4
Adipic Acid SCHEMBL18794878 0.79 KDM4C (0.63) TSHRLMNANFKB1PMP22FFAR4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009064366-A2 METHODS AND COMPOSITIONS FOR PROTEIN LABELING USING LIPOIC ACID LIGASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-05-22 WO claimed
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
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-8137925-B2 Methods and compositions for protein labeling using lipoic acid ligases MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-20 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

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 GSTK1 1158/4885TSHR 4037/4885LMNA 1218/4885
US-20090149631-A1 Methods and compositions for protein labeling using lipoic acid ligases HLCS, ACSL5, ACSL1 GSTK1 1228/4885TSHR 4081/4885LMNA 530/4885
US-20210196842-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE DLAT, FABP7, ACSL1 GSTK1 554/4885TSHR 1871/4885LMNA 3588/4885

“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.