SCHEMBL599752

SCHEMBL599752

CC(N)(C(=O)O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
KIF11 P52732 1/20 0.42
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 3/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGDS O60760 1/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL41617 1.00 DAO (0.43) DAOKIF11CYP2C19CYP1A2CES2
SCHEMBL1421302 1.00 DAO (0.43) DAOKIF11CYP2C19CYP1A2CES2
SCHEMBL73588 0.83 DAO (0.43) DAOKIF11CYP2C19CES2CES1
SCHEMBL1492740 0.83 DAO (0.43) DAOKIF11CYP2C19CES2CES1
SCHEMBL7432298 0.83 DAO (0.43) DAOKIF11CYP2C19CES2CES1
Hydrochloric Acid SCHEMBL9402263 0.82 DAO (0.42) DAOKIF11CYP2C19CES2CES1
SCHEMBL28251139 0.82 CES2 (0.39) DAOKIF11CES2CES1TSHR
Hydrochloric Acid SCHEMBL5198564 0.82 HDAC1 (0.40) DAOKIF11CES2CES1TSHR
SCHEMBL1827117 0.82 DAO (0.42) DAOKIF11CYP2C19CYP1A2CES2
SCHEMBL5788804 0.81 CYP2C19 (0.43) DAOKIF11CYP2C19CYP1A2TSHR

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025106527-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FRIEDREICH'S ATAXIA THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2025-05-22 WO disclosed
US-11866460-B2 Broad-spectrum anti-infective peptides NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-01-09 US disclosed
EP-3313862-B9 BROAD-SPECTRUM ANTI-INFECTIVE PEPTIDES UNIV NANYANG TECH (SG) 2023-10-04 EP disclosed
EP-3313862-B1 BROAD-SPECTRUM ANTI-INFECTIVE PEPTIDES UNIV NANYANG TECH (SG) 2023-06-07 EP disclosed
US-20220402972-A1 BROAD-SPECTRUM ANTI-INFECTIVE PEPTIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-12-22 US disclosed
WO-2022220749-A1 ANTI-VIRAL PEPTIDE COMPOSITIONS AND METHODS TO IMPROVE BIOLOGICAL ACTIVITY THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-10-20 WO disclosed
US-20220054590-A1 PROTOXIN-II VARIANTS AND METHODS OF USE THEREOF JANSSEN BIOTECH, INC. 2022-02-24 US disclosed
US-11083776-B2 Protoxin-II variants and methods of use JANSSEN BIOTECH, INC. (US) 2021-08-10 US disclosed
EP-3277304-B1 PROTOXIN-II VARIANTS AND METHODS OF USE JANSSEN BIOTECH INC (US) 2021-08-04 EP disclosed
US-20200087349-A1 BROAD-SPECTRUM ANTI-INFECTIVE PEPTIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-03-19 US disclosed
US-20040014147-A1 Methods of identifying compounds that modulate IL-4 receptor-mediated IgE synthesis utilizing an adenosine kinase MIDCAP FINANCIAL TRUST 2004-01-22 US disclosed
WO-2003070769-A2 ORGANIC COMPOUNDS HAVING ANTI-ANGIOGENIC ACTIVITY NOVARTIS AG (CH) 2003-08-28 WO disclosed
WO-2003000915-A1 METHOD FOR PRODUCING L-AMINO ACIDS SHOWA DENKO K.K. (JP) 2003-01-03 WO disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6124121-A Method for producing L-leucine AJINOMOTO CO., INC. (JP) 2000-09-26 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0913466-A2 Method for producing L-leucine Ajinomoto Co., Ltd. (JP) 1999-05-06 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed
US-4110342-A PENICILLIN AND CEPHALOSPORIN INTERMEDIATES PFIZER INC. (US) 1978-08-29 US disclosed