SCHEMBL13019256

SCHEMBL13019256

CC(=O)On1ccccc1=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
PTGS1 P23219 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP3 P08254 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
LOX P28300 1/20 0.42
ADRA1A P35348 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
LOXL3 P58215 1/20 0.42
LOXL4 Q96JB6 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ALDH1A1 P00352 4/20 0.37
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL19661200 0.81 ESR1 (0.42) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL13390467 0.80 ESR1 (0.38) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL13390396 0.80 RAB9A (0.38) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL13390203 0.80 RAB9A (0.38) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL18116961 0.79 ESR1 (0.41) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL18116997 0.79 ESR1 (0.41) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL18840226 0.79 RAB9A (0.41) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL18116993 0.79 ESR1 (0.41) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL18116995 0.79 ESR1 (0.41) ESR1PTGS1HSP90AA1MMP3CHRM1
SCHEMBL13479829 0.78 ALDH1A1 (0.34) ESR1PTGS1ALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180514-B2 Systems and methods for mechanosynthesis CBN NANO TECHNOLOGIES INC. (CA) 2021-11-23 US disclosed
US-20210143339-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG DISPLAY CO., LTD. (KR) 2021-05-13 US disclosed
EP-3819953-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG Display Co., Ltd. (KR) 2021-05-12 EP disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 US disclosed
US-20180194783-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2018-07-12 US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
US-20170342093-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9828391-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-11-28 US disclosed
WO-2017091585-A1 EIF4-A-INHIBITING COMPOUNDS AND METHODS RELATED THERETO EFFECTOR THERAPEUTICS, INC. (US) 2017-06-01 WO disclosed
US-9529261-B2 Color-forming composition, color-forming curable composition, lithographic printing plate precursor and plate making method, and color-forming compound FUJIFILM CORPORATION (JP) 2016-12-27 US disclosed
US-9376454-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2016-06-28 US disclosed
US-20150224125-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 US disclosed
US-9040504-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2015-05-26 US disclosed
US-8912169-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2014-12-16 US disclosed
US-20140194386-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-10 US disclosed
US-20140171390-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-06-19 US disclosed
US-7858388-B2 MS based peptide and protein sequencing via reactions of lysine residues with peroxycarbonate compounds VANDERBILT UNIVERSITY (US) 2010-12-28 US disclosed
US-20100093883-A1 Hydroxamic Esters as Photoinitiators LAMBERTI SPA (IT) 2010-04-15 US disclosed
US-20100093883-A1 Hydroxamic Esters as Photoinitiators LAMBERTI SPA (IT) 2010-04-15 US disclosed
US-20070249056-A1 Peptide and Protein Fragmentation by Lysine Residue Originated Reactions VANDERBILT UNIVERSITY 2007-10-25 US 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 (8 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-20170342093-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885
US-20070249056-A1 Peptide and Protein Fragmentation by Lysine Residue Originated Reactions PTMS, PTMA, PHYKPL ESR1 3343/4885PTGS1 2737/4885HSP90AA1 1605/4885
US-20180194783-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885
US-20210143339-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND OCIAD1, OCIAD2, ORC3 ESR1 190/4885PTGS1 3986/4885HSP90AA1 4878/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885
US-20140194386-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885
US-20140171390-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885
US-20150224125-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ESR1 1864/4885PTGS1 1665/4885HSP90AA1 2092/4885

“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.