SCHEMBL9954993

SCHEMBL9954993

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
FOLH1 Q04609 3/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TLR2 O60603 1/20 0.40
ACE P12821 2/20 0.39
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CPB2 Q96IY4 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9954991 1.00 MMP2 (0.48) MMP2MMP9FOLH1CA1CA2
SCHEMBL9955503 0.81 KMT2A (0.48) MMP2MMP9CA1CA2SMN1; SMN2
SCHEMBL9955507 0.81 KMT2A (0.48) MMP2MMP9CA1CA2SMN1; SMN2
SCHEMBL15347562 0.80 NAALAD2 (0.47) MMP9FOLH1CA1CA2POLB
SCHEMBL15347561 0.80 NAALAD2 (0.47) MMP9FOLH1CA1CA2POLB
SCHEMBL9956081 0.80 C3AR1 (0.40) FOLH1SMN1; SMN2POLBPKMKMT2A
SCHEMBL9956085 0.80 C3AR1 (0.40) FOLH1SMN1; SMN2POLBPKMKMT2A
SCHEMBL25365176 0.79 KMT2A (0.51) MMP2MMP9FOLH1SMN1; SMN2PKM
SCHEMBL29860289 0.79 TLR2 (0.46) MMP2MMP9FOLH1TLR2POLB
SCHEMBL27624443 0.79 TLR2 (0.46) MMP2MMP9FOLH1TLR2POLB

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 MMP2 3561/4885MMP9 4805/4885FOLH1 64/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 MMP2 1799/4885MMP9 2672/4885FOLH1 85/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 MMP2 1799/4885MMP9 2672/4885FOLH1 85/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD MMP2 3561/4885MMP9 4805/4885FOLH1 64/4885

“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.