SCHEMBL9955305

SCHEMBL9955305

O=C(O)[C@H](CS)Nc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN7 P35236 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9955302 1.00 BLM (0.42) BLMPOLBPKMPTPN1PTPN7
SCHEMBL29746902 0.84 PTPN1 (0.43) BLMPOLBPKMPTPN1PTPN7
SCHEMBL29747063 0.83 PKLR (0.45) BLMPOLBPKMPTPN1PTPN7
SCHEMBL15347561 0.80 NAALAD2 (0.47) BLMPOLBPKMPTPN1PTPN7
SCHEMBL9954971 0.80 CYP2C19 (0.50) BLMPOLBPKMPTPN1PTPN7
SCHEMBL9954098 0.80 MME (0.49) L3MBTL1ALDH1A1MMEFOLH1
SCHEMBL9954970 0.80 CYP2C19 (0.50) BLMPOLBPKMPTPN1PTPN7
SCHEMBL9954097 0.80 MME (0.49) L3MBTL1ALDH1A1MMEFOLH1
SCHEMBL15347562 0.80 NAALAD2 (0.47) BLMPOLBPKMPTPN1PTPN7
SCHEMBL9955771 0.80 MME (0.43) POLBL3MBTL1MAPTALDH1A1MME

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
US-11397186-B2 Methods for covalently binding a cell surface protein and a ligand UNIVERSITEIT GENT (BE) 2022-07-26 US disclosed
US-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent UNIVERSITEIT GENT (BE) 2021-07-06 US disclosed
US-20210018512-A1 METHODS FOR COVALENTLY BINDING A CELL SURFACE PROTEIN AND A LIGAND UNIVERSITEIT GENT (BE) 2021-01-21 US disclosed
US-10753944-B2 Methods for covalently binding a cell surface protein and a ligand UNIVERSITEIT GENT (BE) 2020-08-25 US disclosed
EP-3313858-B1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIV GENT (BE) 2019-09-25 EP disclosed
EP-3423837-A1 METHODS FOR COVALENTLY BINDING A CELL SURFACE PROTEIN AND A LIGAND Universiteit Gent (BE) 2019-01-09 EP disclosed
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIVERSITEIT GENT (BE) 2019-01-03 US disclosed
EP-3313858-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT Universiteit Gent (BE) 2018-05-02 EP disclosed
EP-2655395-B1 METHOD FOR CROSS-LINKING PEPTIDES UNIV GENT (BE) 2018-03-07 EP disclosed
US-9708363-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2017-07-18 US disclosed
WO-2017001204-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIVERSITEIT GENT (BE) 2017-01-05 WO disclosed
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2016-08-25 US disclosed
US-9290537-B2 Method for cross-linking peptides UNIVERSITEIT GENT (BE) 2016-03-22 US disclosed
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2013-10-31 US disclosed
EP-2655395-A2 METHOD FOR CROSS-LINKING PEPTIDES Universiteit Gent (BE) 2013-10-30 EP disclosed
WO-2012085279-A2 METHOD FOR CROSS-LINKING PEPTIDES UNIVERSITEIT GENT (BE) 2012-06-28 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 (4 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-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent PAICS, HNMT, DPYD BLM 2817/4885POLB 3683/4885PKM 3641/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 BLM 2329/4885POLB 3448/4885PKM 3080/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 BLM 2329/4885POLB 3448/4885PKM 3080/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD BLM 2817/4885POLB 3683/4885PKM 3641/4885

“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.