SCHEMBL930561

SCHEMBL930561

C=CC(NC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.58
ALDH1A1 P00352 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.53
ALOX15 P16050 1/20 0.53
KYNU Q16719 1/20 0.52
CTRB1 P17538 2/20 0.51
ATM Q13315 2/20 0.51
CTSK P43235 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL930559 1.00 MBOAT4 (0.58) MBOAT4ALDH1A1TRPM8ALOX15KYNU
SCHEMBL22747610 1.00 MBOAT4 (0.58) MBOAT4ALDH1A1TRPM8ALOX15KYNU
SCHEMBL8173806 0.91 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL7372388 0.91 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL17280899 0.89 ALDH1A1 (0.53) MBOAT4ALDH1A1ALOX15CTRB1ATM
SCHEMBL22118319 0.88 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL14769904 0.88 CTRB1 (0.54) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL29014283 0.87 SYK (0.57) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL25875351 0.87 SYK (0.57) MBOAT4CTRB1ATMCTSKLMNA
SCHEMBL8232784 0.86 MBOAT4 (0.51) MBOAT4CTRB1ATMCTSKLMNA

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
CN-118108633-A Preparation method of L-glufosinate intermediate (S) -2- (((benzyloxy) carbonyl) amino) but-3-enoic acid methyl ester 浙江工业大学 2024-05-31 CN claimed
CN-118108633-A Preparation method of L-glufosinate intermediate (S) -2- (((benzyloxy) carbonyl) amino) but-3-enoic acid methyl ester 浙江工业大学 2024-05-31 CN disclosed
CN-118108633-A Preparation method of L-glufosinate intermediate (S) -2- (((benzyloxy) carbonyl) amino) but-3-enoic acid methyl ester 浙江工业大学 2024-05-31 CN disclosed
WO-2023194895-A1 PYRROL DERIVATIVES AS INHIBITORS OF APOLIPOPROTEIN L-1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-12 WO disclosed
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 US disclosed
US-8710178-B2 Macrocyclic cysteine protease inhibitors and compositions thereof LINCOLN UNIVERSITY (NZ) 2014-04-29 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 US disclosed
US-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-03 US disclosed
EP-2183258-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS Centre National de la Recherche Scientifique (CNRS) (FR) 2010-05-12 EP disclosed
WO-2009016520-A2 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR USE AS AGONISTS OR ANTAGONISTS FOR METABOTROPIC GLUTAMATE RECEPTORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-02-05 WO disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 WO disclosed
EP-0546566-B1 Process for the preparation of L-phosphinothricine and its derivatives HOECHST SCHERING AGREVO GMBH (DE) 1996-09-04 EP disclosed
US-5420329-A Process for the preparation of L-phosphinothricin and its derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
EP-0546566-A1 Process for the preparation of L-phosphinothricine and its derivatives Hoechst Schering AgrEvo GmbH (DE) 1993-06-16 EP disclosed
EP-0209237-A2 Vinyl-glycyl-amino-beta-lactam derivatives BEECHAM GROUP PLC (GB) 1987-01-21 EP 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 (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-20100137258-A1 THIOPHOSPHI(O)NIC ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS C1R, TLR9, CBR1 MBOAT4 1249/4885ALDH1A1 2913/4885TRPM8 639/4885
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 MBOAT4 3225/4885ALDH1A1 4230/4885TRPM8 1470/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 MBOAT4 3225/4885ALDH1A1 4230/4885TRPM8 1470/4885

“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.