SCHEMBL9955503

SCHEMBL9955503

NC(=O)CCC(Nc1ccco1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
CYP2C19 P33261 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
ESR2 Q92731 1/20 0.38
ELANE P08246 1/20 0.37
ALOX15 P16050 2/20 0.37
PMP22 Q01453 1/20 0.37
TSHR P16473 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35

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
SCHEMBL9955507 1.00 KMT2A (0.48) KMT2AMMP2MMP9CA2CA1
SCHEMBL15347561 0.88 NAALAD2 (0.47) KMT2AMMP9CA2CA1CYP2C19
SCHEMBL15347562 0.88 NAALAD2 (0.47) KMT2AMMP9CA2CA1CYP2C19
SCHEMBL9954970 0.84 CYP2C19 (0.50) KMT2ACA2CA1CYP2C19L3MBTL1
SCHEMBL9954971 0.84 CYP2C19 (0.50) KMT2ACA2CA1CYP2C19L3MBTL1
SCHEMBL9954993 0.81 MMP2 (0.48) KMT2AMMP2MMP9CA2CA1
SCHEMBL9954991 0.81 MMP2 (0.48) KMT2AMMP2MMP9CA2CA1
SCHEMBL29746902 0.79 PTPN1 (0.43) KMT2ACA2CA1CYP2C19L3MBTL1
SCHEMBL2252337 0.78 POLB (0.48) KMT2AMMP2MMP9L3MBTL1POLB
SCHEMBL9956081 0.78 C3AR1 (0.40) KMT2AL3MBTL1SMN1; SMN2POLBPKM

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 15 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
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 KMT2A 1091/4885MMP2 3561/4885MMP9 4805/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 KMT2A 4564/4885MMP2 1799/4885MMP9 2672/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 KMT2A 4564/4885MMP2 1799/4885MMP9 2672/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD KMT2A 1091/4885MMP2 3561/4885MMP9 4805/4885

“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.