SCHEMBL414466

SCHEMBL414466

O=C(O)[C@@](O)(C(=O)c1ccccc1)[C@@](O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.58
SRC P12931 1/20 0.52
CES2 O00748 4/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 4/20 0.46
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL31097912 1.00 CES1 (0.58) CES1SRCCES2TSHRALDH1A1
SCHEMBL2904552 1.00 CES1 (0.58) CES1SRCCES2TSHRALDH1A1
SCHEMBL32681153 1.00 CES1 (0.58) CES1SRCCES2TSHRALDH1A1
SCHEMBL7684 1.00 CES1 (0.58) CES1SRCCES2TSHRALDH1A1
SCHEMBL637241 1.00 CES1 (0.58) CES1SRCCES2TSHRALDH1A1
SCHEMBL11542843 0.97 CES1 (0.56) CES1SRCCES2TSHRALDH1A1
Water SCHEMBL18124365 0.97 CES1 (0.56) CES1SRCCES2TSHRALDH1A1
Water SCHEMBL19283519 0.97 CES1 (0.56) CES1SRCCES2TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL11444696 0.97 CES1 (0.56) CES1SRCCES2TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL11444694 0.97 CES1 (0.56) CES1SRCCES2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125390-A1 SOLID FORMS OF MACROCYCLIC COMPOUNDS, SALTS AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE SAME KURA ONCOLOGY INC (US) 2026-05-07 US claimed
EP-4720073-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS Kura Oncology, Inc. (US) 2026-04-08 EP claimed
WO-2024245364-A1 SOLID FORMS OF A MACROCYCLIC FARNESYLTRANSFERASE INHIBITOR AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE MACROCYCLIC COMPOUND AND ITS SOLID FORMS KURA ONCOLOGY, INC. (US) 2024-12-05 WO claimed
EP-4460503-A1 IMPROVED PROCESS FOR THE PREPARATION OF UPADACITINIB MSN Laboratories Private Limited, R&D Center (IN) 2024-11-13 EP claimed
WO-2024130425-A1 METHODS OF MAKING 2-AMINO-L-(3-HYDROXY-2,6-DIMETHYLPHENYL)-5,6- DIMETHYL-LH-PYRROLO-[2,3-B]PYRIDINE-3-CARBOXAMIDE, A MYTL INHIBITOR REPARE THERAPEUTICS INC. (CA) 2024-06-27 WO claimed
EP-3927689-B1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORP (KR) 2024-01-24 EP claimed
US-20230416224-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF ZEVRA DENMARK AS (DK) 2023-12-28 US claimed
EP-4247792-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF Zevra Denmark A/S (DK) 2023-09-27 EP claimed
CN-116783164-A Process for preparing apremilast citrate and intermediates thereof 泽维拉丹麦股份有限公司 2023-09-19 CN claimed
WO-2023131978-A1 IMPROVED PROCESS FOR THE PREPARATION OF UPADACITINIB MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-07-13 WO claimed
US-8399655-B2 Process and methods for the preparation of optically active cis-2-hydroxymethyl-4-(cytosin-1′-yl)-1,3-oxathiolane or pharmaceutically acceptable salts thereof SHIRE CANADA INC. (CA) 2013-03-19 US claimed
WO-2012137047-A1 A PROCESS FOR PREPARING FESOTERODINE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-10-11 WO claimed
WO-2012022994-A1 PREPARATION PROCESS OF VILDAGLIPTIN EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2012-02-23 WO claimed
US-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol GRUENENTHAL GMBH (DE) 2012-01-26 US claimed
WO-2012010316-A1 SALTS OR CO-CRYSTALS OF 3-(3-DIMETHYLAMINO-1-ETHYL-2-METHYL-PROPYL)-PHENOL Grünenthal GmbH (DE) 2012-01-26 WO claimed
US-20110257397-A1 Process and methods for the preparation of optically active cis-2-hydroxymethyl-4-(cytosin-1'-yl)-1,3-oxathiolane or pharmaceutically acceptable salts thereof CIMPOIA ALEX 2011-10-20 US claimed
US-20100331544-A1 METHOD FOR PRODUCING (1R,5S) ANHYDROECGONINE ESTER SALTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-30 US claimed
EP-1866303-A1 PROCESS AND METHODS FOR THE PREPARATION OF OPTICALLY ACTIVE CIS-2-HYDROXYMETHYL-4-(CYTOSIN-1´-YL)-1,3-OXATHIOLANE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Shire BioChem Inc. (CA) 2007-12-19 EP claimed
WO-2006096954-A1 PROCESS AND METHODS FOR THE PREPARATION OF OPTICALLY ACTIVE CIS-2-HYDROXYMETHYL-4-(CYTOSIN-1´-YL)-1,3-OXATHIOLANE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SHIRE BIOCHEM INC. (CA) 2006-09-21 WO claimed
US-20060199786-A1 Process and methods for the preparation of optically active cis-2-hydroxymethyl-4- (cytosin-1'-yl) -1,3-oxathiolane or pharmaceutically acceptable salts thereof SHIRE CANADA INC. (CA) 2006-09-07 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 (6 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-20260125390-A1 SOLID FORMS OF MACROCYCLIC COMPOUNDS, SALTS AND FORMULATIONS THEREOF, AND METHODS OF PREPARING AND USING THE SAME FDPS, PCTP, MTTP CES1 751/4885SRC 52/4885CES2 3211/4885
US-20100331544-A1 METHOD FOR PRODUCING (1R,5S) ANHYDROECGONINE ESTER SALTS GNE, ABHD5, GALE CES1 241/4885SRC 3552/4885CES2 523/4885
US-20120022117-A1 Salts or Co-Crystals of 3-(3-dimethylamino-1-ethyl-2-methyl-propyl)-phenol RCC2, EP300, SIGMAR1 CES1 1309/4885SRC 131/4885CES2 475/4885
US-20230416224-A1 PROCESSES FOR PREPARING ARIMOCLOMOL CITRATE AND INTERMEDIATES THEREOF ACLY, AURKC, AURKA CES1 1449/4885SRC 583/4885CES2 3216/4885
US-20110257397-A1 Process and methods for the preparation of optically active cis-2-hydroxymethyl-4-(cytosin-1'-yl)-1,3-oxathiolane or pharmaceutically acceptable salts thereof SPECC1L, MTHFD1, HCCS CES1 50/4885SRC 3200/4885CES2 366/4885
US-20060199786-A1 Process and methods for the preparation of optically active cis-2-hydroxymethyl-4- (cytosin-1'-yl) -1,3-oxathiolane or pharmaceutically acceptable salts thereof SPECC1L, MTHFD1, HCCS CES1 50/4885SRC 3200/4885CES2 366/4885

“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.