SCHEMBL9956085

SCHEMBL9956085

N=C(N)NCCC[C@H](Nc1ccco1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.40
FOLH1 Q04609 3/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
NPY4R P50391 4/20 0.35
NPY1R P25929 3/20 0.35
NPY2R P49146 2/20 0.34
NPY5R Q15761 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL9956081 1.00 C3AR1 (0.40) C3AR1FOLH1ALDH1A1SMN1; SMN2PKM
SCHEMBL1426693 0.81 ALDH1A1 (0.51) C3AR1FOLH1ALDH1A1SMN1; SMN2PKM
SCHEMBL6331668 0.81 C3AR1 (0.45) C3AR1FOLH1ITGB3ITGA2BNPY4R
SCHEMBL6331670 0.81 C3AR1 (0.45) C3AR1FOLH1ITGB3ITGA2BNPY4R
SCHEMBL28172752 0.80 ITGB3 (0.48) C3AR1FOLH1ITGB3ITGA2B
SCHEMBL3901457 0.80 ALDH1A1 (0.43) C3AR1FOLH1ALDH1A1SMN1; SMN2PKM
SCHEMBL3901461 0.80 ALDH1A1 (0.43) C3AR1FOLH1ALDH1A1SMN1; SMN2PKM
SCHEMBL9954993 0.80 MMP2 (0.48) FOLH1SMN1; SMN2PKMPOLBKMT2A
SCHEMBL9954991 0.80 MMP2 (0.48) FOLH1SMN1; SMN2PKMPOLBKMT2A
SCHEMBL9955503 0.78 KMT2A (0.48) ALDH1A1SMN1; SMN2PKMKDM4EPOLB

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 C3AR1 1403/4885FOLH1 64/4885ALDH1A1 715/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 C3AR1 166/4885FOLH1 85/4885ALDH1A1 2712/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 C3AR1 166/4885FOLH1 85/4885ALDH1A1 2712/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD C3AR1 1403/4885FOLH1 64/4885ALDH1A1 715/4885

“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.