SCHEMBL4640223

SCHEMBL4640223

NC(CCO)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
KEAP1 Q14145 1/20 0.42
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C19 P33261 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35

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
Hydrochloric Acid SCHEMBL5286030 0.98 ALOX5 (0.41) ALOX5CES2CES1KEAP1SLC6A2
SCHEMBL29337167 0.83
SCHEMBL3341284 0.83
SCHEMBL12993068 0.83
Hydrochloric Acid SCHEMBL17497697 0.82 ALOX5 (0.40) ALOX5CES2CES1KEAP1SLC6A2
SCHEMBL4444118 0.80 ALOX5 (0.42) ALOX5CES2CES1KEAP1SLC6A2
SCHEMBL11544964 0.79 HPGD (0.44) ALOX5CES2CES1KEAP1NPC1
SCHEMBL3229012 0.78 NPC1 (0.53) ALOX5CES2CES1KEAP1SLC6A2
SCHEMBL14525329 0.78 NPC1 (0.53) ALOX5CES2CES1KEAP1SLC6A2
SCHEMBL23695275 0.77 CA2 (0.43) ALOX5CES2CES1KEAP1CYP2C19

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-3546066-B1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM, ITS USE, AND SEPARATION CAPACITY CALIBRATION METHOD CHONGQING BOLANYING BLY BIOTECHNOLOGY CO LTD CHINA (CN) 2021-01-20 EP claimed
US-20190291095-A1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM AND USES THEREOF AND METHOD FOR CALIBRATING SEPARATION CAPACITY THEREOF CHONGQING BOLANYING BLY BIOTECHNOLOGY CO LTD (CN) 2019-09-26 US claimed
WO-2022131741-A1 ISOXAZOLIDINE DERIVATIVE COMPOUND AND USE THEREOF 보로노이바이오 주식회사 2022-06-23 WO disclosed
US-11358136-B2 Amphoteric dissociation ion exchange medium and uses thereof and method for calibrating separation capacity thereof CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-14 US disclosed
EP-3546066-B1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM, ITS USE, AND SEPARATION CAPACITY CALIBRATION METHOD CHONGQING BOLANYING BLY BIOTECHNOLOGY CO LTD CHINA (CN) 2021-01-20 EP disclosed
US-20200376480-A1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM AND USES THEREOF AND METHOD FOR CALIBRATING SEPARATION CAPACITY THEREOF CHONGQING BOLANYING (BLY) BIOTECHNOLOGY CO., LTD. (CN) 2020-12-03 US disclosed
EP-3546066-A1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM, APPLICATION METHOD, AND SEPARATION CAPACITY CALIBRATION METHOD Chongqing Bolanying (BLY) Biotechnology Co., Ltd., China (CN) 2019-10-02 EP disclosed
US-20190291095-A1 AMPHOTERIC DISSOCIATION ION EXCHANGE MEDIUM AND USES THEREOF AND METHOD FOR CALIBRATING SEPARATION CAPACITY THEREOF CHONGQING BOLANYING BLY BIOTECHNOLOGY CO LTD (CN) 2019-09-26 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
EP-1951643-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals Inc. (US) 2008-08-06 EP disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines HEMS WILLIAM 2005-12-08 US disclosed
CN-1671685-A Process for the preparation of 3-hydroxy- (2-thienyl) propanamines DEGUSSA (DE) 2005-09-21 CN disclosed
EP-1523479-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXY-(2-THIENYL)PROPANAMINES Degussa AG (DE) 2005-04-20 EP disclosed
WO-2004031168-A2 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OPTICALLY ACTIVE 3-AMINO-1-(2-THIENYL)-1-PROPANOL DERIVATIVES LONZA AG (CH) 2004-04-15 WO disclosed
WO-2004011452-A1 PROCESS FOR THE PREPARATION OF 3-HYDROXY-(2-THIENYL)PROPANAMINES DEGUSSA AG (DE) 2004-02-05 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 (2 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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 ALOX5 428/4885CES2 2560/4885CES1 2009/4885
US-20050272930-A1 Process for the prepation of 3-hydroxy-(2-thienyl)propanamines PNMT, HPD, HRH3 ALOX5 3067/4885CES2 1859/4885CES1 2362/4885

“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.