SCHEMBL9954970

SCHEMBL9954970

NC(=O)CC(Nc1ccco1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
ITGB2 P05107 2/20 0.46
ICAM1 P05362 2/20 0.46
ITGAL P20701 2/20 0.46
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9954971 1.00 CYP2C19 (0.50) CYP2C19ITGB2ICAM1ITGALALDH1A1
SCHEMBL29747063 0.87 PKLR (0.45) CYP2C19ALDH1A1CA2CA1KDM4E
SCHEMBL9955507 0.84 KMT2A (0.48) CYP2C19ALDH1A1CA2CA1KDM4E
SCHEMBL9955503 0.84 KMT2A (0.48) CYP2C19ALDH1A1CA2CA1KDM4E
SCHEMBL29746902 0.81 PTPN1 (0.43) CYP2C19ALDH1A1RAB9ACA2CA1
SCHEMBL9955305 0.80 BLM (0.42) CYP2C19ALDH1A1CA2CA1KDM4E
SCHEMBL9955302 0.80 BLM (0.42) CYP2C19ALDH1A1CA2CA1KDM4E
SCHEMBL15347562 0.77 NAALAD2 (0.47) CYP2C19CA2CA1KMT2APOLB
SCHEMBL9954098 0.77 MME (0.49) ALDH1A1L3MBTL1MIF
SCHEMBL15347561 0.77 NAALAD2 (0.47) CYP2C19CA2CA1KMT2APOLB

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 CYP2C19 2743/4885ITGB2 3706/4885ICAM1 4171/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 CYP2C19 2716/4885ITGB2 2962/4885ICAM1 508/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 CYP2C19 2716/4885ITGB2 2962/4885ICAM1 508/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD CYP2C19 2743/4885ITGB2 3706/4885ICAM1 4171/4885

“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.