SCHEMBL71555

SCHEMBL71555

O=C(O)C(=O)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.77
CES1 P23141 2/20 0.77
DAO P14920 1/20 0.67
HPGDS O60760 1/20 0.57
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
HDAC1 Q13547 1/20 0.56
GSK3B P49841 1/20 0.52
ALOX15 P16050 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
Water SCHEMBL27559900 0.98 CES2 (0.74) CES2CES1DAOHPGDSERCC5
Ammonia Solution, Strong SCHEMBL11721426 0.98 CES2 (0.74) CES2CES1DAOHPGDSERCC5
SCHEMBL1066873 0.87 CES2 (1.00) CES2CES1DAOHPGDSERCC5
SCHEMBL9148741 0.83 CES2 (0.81) CES2CES1DAOHPGDSERCC5
SCHEMBL11601470 0.82 CES2 (0.71) CES2CES1DAOHPGDSERCC5
SCHEMBL18734641 0.81 DAO (0.67) CES2CES1DAOHPGDSERCC5
SCHEMBL5710366 0.80 CES2 (0.68) CES2CES1DAOHPGDSERCC5
SCHEMBL14947051 0.80 CES2 (0.75) CES2CES1DAOHPGDSMEN1
SCHEMBL5710369 0.80 CES2 (0.68) CES2CES1DAOHPGDSERCC5
Thiophene Carboxylic Acid SCHEMBL7062244 0.80 DAO (1.00) CES2CES1DAOHPGDSERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
US-12435294-B2 Prevention of the oxidation of perfumery raw materials and food raw materials FIRMENICH SA (CH) 2025-10-07 US claimed
CN-119097576-A Preventing oxidation of flavor raw material and food raw material 弗门尼舍有限公司 2024-12-10 CN claimed
CN-113038928-B Preventing oxidation of flavor raw material and food raw material 弗门尼舍有限公司 2024-08-30 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL FIRMENICH SA (CH) 2023-07-06 US claimed
EP-3630776-B1 FURO[2,3-B]PYRAN-2-ONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2023-05-17 EP claimed
CN-110603029-B Reduction of organic peroxides in flavor and food materials 弗门尼舍有限公司 2023-04-25 CN claimed
CN-115996696-A Prevention, reduction or improvement of odor of elderly people 弗门尼舍有限公司 2023-04-21 CN claimed
EP-4164587-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL Firmenich SA (CH) 2023-04-19 EP claimed
US-20050170390-A1 MCT1 transporters expressed in blood brain barrier cells XENOPORT, INC. (US) 2005-08-04 US claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-5587319-A REACTING RACEMIC PHOSPHINOTHRICIN WITH ALPHA-KETO ACID IN PRESENCE OF D-AMINO ACID TRANSAMINASE TO FORM 3-CARBOXY-3-OXO-PROPYLMETHYLPHOSPHINATE, THEN REACTING WITH AMINO-GROUP DONOR, CATALYZED BY L-AMINO ACID TRANSAMINASE HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-24 US claimed
EP-0727713-A1 Photoresist having increased sensitivity and use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1996-08-21 EP claimed
EP-0374651-B1 PROCESS FOR THE PREPARATION OF L-PHOSPHINOTHRICINE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP claimed
EP-0374651-A1 Process for the preparation of L-phosphinothricine HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-27 EP claimed
US-4234737-A Process for preparing thienylglyoxylic acids and amides STAUFFER CHEMICAL COMPANY (US) 1980-11-18 US claimed

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-12435294-B2 Prevention of the oxidation of perfumery raw materials and food raw materials CUTA, MPO, GPX4 CES2 540/4885CES1 504/4885DAO 131/4885
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL ACHE, RBP4, LPO CES2 2194/4885CES1 3395/4885DAO 2411/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS CES2 1255/4885CES1 2320/4885DAO 854/4885

“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.