SCHEMBL5239448

SCHEMBL5239448

CC(C)(C)OC(=O)C(C(=O)O)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
KMT2A Q03164 1/20 0.42
SRC P12931 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAOA P21397 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
NR1H2 P55055 1/20 0.34
SLC7A5 Q01650 1/20 0.34

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
SCHEMBL2599350 0.91 LMNA (0.45) LMNAKMT2AALDH1A1HTTADRB2
Hydrochloric Acid SCHEMBL3529730 0.90 LMNA (0.44) LMNAKMT2AALDH1A1HTTADRB2
SCHEMBL11250163 0.85 KMT2A (0.43) LMNAKMT2ASRCALDH1A1CYP3A4
SCHEMBL28064960 0.84 SRC (0.57) LMNAKMT2ASRCALDH1A1MAPT
SCHEMBL3335866 0.84 SRC (0.57) LMNAKMT2ASRCALDH1A1MAPT
SCHEMBL5983603 0.84 SRC (0.57) LMNAKMT2ASRCALDH1A1MAPT
SCHEMBL7457601 0.83 SLC7A5 (0.40) LMNAKMT2ASRCADRB3KDM4E
SCHEMBL7347467 0.81 CPN1 (0.47) LMNAKMT2ASRCALDH1A1ADRB2
SCHEMBL7461910 0.81 CPN1 (0.47) LMNAKMT2ASRCALDH1A1ADRB2
SCHEMBL9300518 0.81 ALDH1A1 (0.47) LMNAKMT2ASRCALDH1A1HTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598849-A Compound for degrading TMPRSS2 protein in targeted ubiquitination, preparation method and application thereof 浙江工业大学 2024-09-06 CN claimed
CN-118344265-A Amide compound and preparation method and application thereof 河北大学 2024-07-16 CN claimed
CN-119613701-A Method for synthesizing functionalized polyether in multi-proton system 华南理工大学 2025-03-14 CN disclosed
CN-118598849-A Compound for degrading TMPRSS2 protein in targeted ubiquitination, preparation method and application thereof 浙江工业大学 2024-09-06 CN disclosed
CN-118344265-A Amide compound and preparation method and application thereof 河北大学 2024-07-16 CN disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
CN-114213435-B Preparation and application of bis- (10-deoxydihydroartemisinin) -phloroglucinol derivative 云白药征武科技(上海)有限公司 2023-03-21 CN disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 US disclosed
CN-114213435-A Preparation and application of bis- (10-deoxydihydroartemisinin) -phloroglucinol derivative 云白药征武科技(上海)有限公司 2022-03-22 CN disclosed
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 EP disclosed
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists ENTREMED, INC. 2006-03-23 US disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 WO disclosed
US-5545627-A VASODILATORS, DIURETICS, IMMUNOSUPPRESSANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-13 US disclosed
US-5449662-A Atrial natriuretic peptide clearance inhibitors which resist degradation SCIOS NOVA INC. (US) 1995-09-12 US disclosed
US-5298508-A Compounds as ligands for cardiovascular disorders or stimulant of immunology THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-03-29 US disclosed
EP-0429537-A4 ATRIAL NATRIURETIC PEPTIDE CLEARANCE INHIBITORS 1991-08-21 EP disclosed
EP-0429537-A1 ATRIAL NATRIURETIC PEPTIDE CLEARANCE INHIBITORS CALIFORNIA BIOTECHNOLOGY, INC. (US) 1991-06-05 EP disclosed
WO-1990001940-A1 ATRIAL NATRIURETIC PEPTIDE CLEARANCE INHIBITORS CALIFORNIA BIOTECHNOLOGY INC. (US) 1990-03-08 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 (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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 LMNA 3980/4885KMT2A 1657/4885SRC 910/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 LMNA 3980/4885KMT2A 1657/4885SRC 910/4885
US-20060063930-A1 Compositions and methods comprising proteinase activated receptor antagonists F2RL1, PLAUR, F2R LMNA 3260/4885KMT2A 3771/4885SRC 684/4885

“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.