SCHEMBL9955768

SCHEMBL9955768

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.42
FPR2 P25090 2/20 0.41
FOLH1 Q04609 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9955771 1.00 MME (0.43) MMEALDH1A1L3MBTL1POLBCRHBP
SCHEMBL29746902 0.81 PTPN1 (0.43) MMEALDH1A1L3MBTL1POLBMAPT
SCHEMBL9955302 0.80 BLM (0.42) MMEALDH1A1L3MBTL1POLBFOLH1
SCHEMBL29747063 0.80 PKLR (0.45) MMEALDH1A1L3MBTL1POLBTDP1
SCHEMBL9955305 0.80 BLM (0.42) MMEALDH1A1L3MBTL1POLBFOLH1
SCHEMBL43513 0.78 KMT2A (0.46) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL4595894 0.78 KMT2A (0.46) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL43514 0.78 KMT2A (0.46) ALDH1A1L3MBTL1POLBMAPT
SCHEMBL9954098 0.77 MME (0.49) MMEALDH1A1L3MBTL1FOLH1
SCHEMBL9954971 0.77 CYP2C19 (0.50) ALDH1A1L3MBTL1POLBMAPT

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 MME 1090/4885ALDH1A1 715/4885L3MBTL1 4600/4885
US-20160244481-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 MME 1562/4885ALDH1A1 2712/4885L3MBTL1 4747/4885
US-20130289239-A1 METHOD FOR CROSS-LINKING PEPTIDES PTMS, VIP, FPR2 MME 1562/4885ALDH1A1 2712/4885L3MBTL1 4747/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD MME 1090/4885ALDH1A1 715/4885L3MBTL1 4600/4885

“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.