SCHEMBL4411481

SCHEMBL4411481

Cc1cccc(C)c1OC(=O)[C@H](C)N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
SCN4A P35499 9/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
SCN1A P35498 2/20 0.47
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
NFKB1 P19838 2/20 0.47
CYP2C9 P11712 1/20 0.47
KCNK3 O14649 1/20 0.47
CACNA1F O60840 1/20 0.47
KCNK2 O95069 1/20 0.47
GBA1 P04062 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 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
SCHEMBL30169999 1.00 L3MBTL1 (0.59) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL29423871 1.00 L3MBTL1 (0.59) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL1679987 0.90 L3MBTL1 (0.49) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL28263784 0.87 L3MBTL1 (0.46) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL15384653 0.85 L3MBTL1 (0.45) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL24394204 0.84 L3MBTL1 (0.62) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL2775067 0.81 L3MBTL1 (0.39) L3MBTL1LMNACYP1A2CYP3A4KDM4E
SCHEMBL24849514 0.81 L3MBTL1 (0.59) L3MBTL1SCN4ATSHRLMNASCN1A
SCHEMBL5062924 0.79 TDP1 (0.46) L3MBTL1SCN4AKDM4EALDH1A1HPGD
SCHEMBL5058437 0.79 TDP1 (0.46) L3MBTL1SCN4AKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP claimed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US claimed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
EP-2036918-A1 PEPTIDE DERIVATIVE Vexon, Inc. (JP) 2009-03-18 EP disclosed
US-20080009448-A1 Peptide Derivative VEXON, INC. (50%) (JP) 2008-01-10 US disclosed
EP-1587943-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG Life Sciences Ltd. (KR) 2005-10-26 EP disclosed
WO-2004055195-A1 METHOD FOR PREPARING A (R)- OR (S)- FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE AND A COUNTER ENANTIOMERIC FORM OF N-(2,6-DIMETHYL PHENYL) ALANINE ESTER THERETO USING ENZYME LG LIFE SCIENCES LTD. (KR) 2004-07-01 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 (7 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 L3MBTL1 115/4885SCN4A 3371/4885TSHR 2439/4885
US-20080009448-A1 Peptide Derivative ARGLU1, NGLY1, NPR3 L3MBTL1 901/4885SCN4A 314/4885TSHR 2814/4885

“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.