SCHEMBL44031

SCHEMBL44031

N[C@@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
SLC7A11 Q9UPY5 1/20 0.46
PMP22 Q01453 2/20 0.45
KYNU Q16719 2/20 0.44
NOS2 P35228 1/20 0.44
GCLC P48506 1/20 0.42
SLC1A1 P43005 4/20 0.42
SLC1A3 P43003 3/20 0.42
SLC1A2 P43004 3/20 0.42
GSR P00390 2/20 0.42
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
GRM1 Q13255 2/20 0.42
GRM2 Q14416 2/20 0.42
SLC7A5 Q01650 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL30600100 1.00 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL1395227 1.00 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL21518548 1.00 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL180559 1.00 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL44030 1.00 PTGS1 (0.46) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL6570277 0.97 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL5046067 0.97 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
Water SCHEMBL1157748 0.97 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL22720617 0.97 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2
SCHEMBL4872178 0.97 PTGS1 (0.44) PTGS1SLC7A11PMP22KYNUNOS2

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

Appears in 21125 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-20260137643-A1 COMPOSITIONS AND METHODS USING AT LEAST ONE GLYCINE OR DERIVATIVE THEREOF AND/OR AT LEAST ONE N-ACETYLCYSTEINE OR DERIVATIVE THEREOF, AND AT LEAST ONE THYMOL AND/OR CARVACROL SOC DES PRODUITS NESTLE S A (CH) 2026-05-21 US claimed
US-20260137819-A1 FOLLICLE-STIMULATING HORMONE RECEPTOR (FSHR) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY INC (US) 2026-05-21 US claimed
CN-122051235-A Negative electrode binder, negative electrode plate and battery 深圳好电科技有限公司 2026-05-15 CN claimed
CN-122038363-A Cysteine decarboxylase mutant and application thereof in taurine preparation 中国科学院天津工业生物技术研究所 2026-05-15 CN claimed
EP-3972649-B1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2026-05-13 EP claimed
US-12616761-B2 CXCR4-targeting compounds THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2026-05-05 US claimed
US-20260103499-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (US) 2026-04-16 US claimed
US-12600699-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-14 US claimed
EP-4719486-A1 CONJUGATES AND USES THEREOF Full-Life Technologies UK Limited (GB) 2026-04-08 EP claimed
US-4283386-A APPLYING A CYSTEIC ACID COMPOUND AND A METALLIC COMPOUND SCOTT EUGENE J VAN 1981-08-11 US claimed
US-4273684-A Transparent detergent bar AJINOMOTO CO., INC. (JP) 1981-06-16 US claimed
US-4228304-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIULCER AGENTS, BACTERICIDES, ANTITHROMBOTIC AGENTS AND FOR LIVER DISORDERS, OR AS SURFACTANTS IN DETERGENTS AND OIL ADDITIVES HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1980-10-14 US claimed
US-4224339-A Treatment of disturbed keratinization SCOTT EUGENE J VAN 1980-09-23 US claimed
EP-0015755-A2 Recognins, their chemoreciprocals, target attaching globulins and processes for producing these products; methods of detecting cancer tumors Bogoch, Samuel, Dr. (US) 1980-09-17 EP claimed
US-4147514-A Test means and method for detecting ketone bodies MILES LABORATORIES, INC. (US) 1979-04-03 US claimed
US-4057686-A Sulphonic acid salts of S-adenosilmethionine BIORESEARCH LIMITED (IT) 1977-11-08 US claimed
US-4054557-A ISOLATION FROM MAMMALIAN BLOOD AB KABI (SW) 1977-10-18 US claimed
US-4053630-A FOR ACNE, DANDRUFF AND ICTHYOTIC SKIN CONDITIONS; CYSTEIC, HOMOCYSTEIC, CYSTEINESULFINIC ACID OR METAL CHELATES THEREOF YU RUEY J 1977-10-11 US claimed
US-3985722-A Process for preparing N-higher aliphatic acyl derivatives of amino acids, peptides or proteins AJINOMOTO CO., INC. (JA) 1976-10-12 US claimed