SCHEMBL3498955

SCHEMBL3498955

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCOCCO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.67
PRSS1 P07477 1/20 0.67
PRSS2 P07478 1/20 0.67
PRSS3 P35030 1/20 0.67
TPSAB1 Q15661 1/20 0.67
PKM P14618 3/20 0.65
FOLH1 Q04609 3/20 0.63
TDP1 Q9NUW8 5/20 0.63
MEN1 O00255 1/20 0.59
ABL1 P00519 1/20 0.59
LMNA P02545 1/20 0.59
IDE P14735 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
RIN1 Q13671 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HLCS P50747 1/20 0.58
CA12 O43570 2/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58

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
SCHEMBL24766888 1.00 F2 (0.67) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18549029 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31578516 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL30735826 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24514747 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18550538 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL31479957 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24767163 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22767679 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL29485943 0.99 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240084377-A1 METHODS FOR THE SEQUENCING OF PHOSPHORODIAMIDATE MORPHOLINO OLIGOMERS (PMO) AND PEPTIDE-PMO (PPMO) CONJUGATES ENTRADA THERAPEUTICS, INC. 2024-03-14 US disclosed
CN-116042675-A Method for high-efficiency recombinant expression and protein purification of ADP-ribosyl cyclase 上海观龄基因科技有限公司 2023-05-02 CN disclosed
EP-3524604-B1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2023-03-29 EP disclosed
WO-2022098662-A2 METHODS AND COMPOSITIONS RELATING TO CHEMOKINE RECEPTOR VARIANTS Twist Bioscience Corporation (US) 2022-05-12 WO disclosed
US-20220135690-A1 METHODS AND COMPOSITIONS RELATING TO CHEMOKINE RECEPTOR VARIANTS TWIST BIOSCIENCE CORP (US) 2022-05-05 US disclosed
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2021-06-24 US disclosed
EP-3524604-A1 EXPANDED HEMATOPOIETIC STEM CELLS FROM CORD BLOOD AND THEIR THERAPEUTIC USE Novartis AG (CH) 2019-08-14 EP disclosed
EP-2350078-B1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2019-04-17 EP disclosed
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS FRED HUTCHINSON CANCER RESEARCH CENTER 2018-05-24 US disclosed
US-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS NOVARTIS AG (CH) 2017-08-24 US disclosed
US-20150346209-A1 METHOD OF LABELING SULFENIC ACID-CONTAINING PROTEINS AND PEPTIDES UNIV WAKE FOREST HEALTH SCIENCES (US) 2015-12-03 US disclosed
US-20150346209-A1 METHOD OF LABELING SULFENIC ACID-CONTAINING PROTEINS AND PEPTIDES UNIV WAKE FOREST HEALTH SCIENCES (US) 2015-12-03 US disclosed
US-9175266-B2 Enhancement of natural killer (NK) cell proliferation and activity GAMIDA CELL LTD. (IL) 2015-11-03 US disclosed
US-9023653-B2 Method of labeling sulfenic acid-containing proteins and peptides WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2015-05-05 US disclosed
US-8927281-B2 Method for expanding hematopoietic stem cells IRM LLC (BM) 2015-01-06 US disclosed
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-24 US disclosed
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby GAMIDA CELL INC. 2014-01-23 US disclosed
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity GAMIDA CELL INC. 2014-01-23 US disclosed
US-20130149732-A1 METHOD OF LABELING SULFENIC ACID-CONTAINING PROTEINS AND PEPTIDES FURDUI CRISTINA M (US) 2013-06-13 US disclosed
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS IRM LLC (BM) 2010-07-22 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-20170239296-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 F2 3954/4885PRSS1 2911/4885PRSS2 4177/4885
US-20210187033-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 F2 3954/4885PRSS1 2911/4885PRSS2 4177/4885
US-20140114070-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 F2 3954/4885PRSS1 2911/4885PRSS2 4177/4885
US-20140023626-A1 Enhancement of Natural Killer (NK) Cell Proliferation and Activity PBK, IL2, AHR F2 3820/4885PRSS1 927/4885PRSS2 2079/4885
US-20100183564-A1 COMPOUNDS THAT EXPAND HEMATOPOIETIC STEM CELLS CD47, HCLS1, CD74 F2 3954/4885PRSS1 2911/4885PRSS2 4177/4885
US-20150346209-A1 METHOD OF LABELING SULFENIC ACID-CONTAINING PROTEINS AND PEPTIDES CTH, PTMS, CBS F2 3853/4885PRSS1 1128/4885PRSS2 779/4885
US-20140023623-A1 Methods of Culturing and Expanding Mesenchymal Stem Cells and Isolated Cell Populations Generated Thereby AHR, HGF, MTNR1A F2 4807/4885PRSS1 674/4885PRSS2 683/4885
US-20180142212-A1 COMPOSITIONS AND METHODS FOR ENHANCED GENERATION OF HEMATOPOIETIC STEM/PROGENITOR CELLS AHR, NOTCH1, ARNT F2 2251/4885PRSS1 1962/4885PRSS2 2855/4885

“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.