SCHEMBL20160143

SCHEMBL20160143

CC(C)C(NC(=O)CCOCCOCCN)C(=O)NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ECE1 P42892 1/20 0.37
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
FURIN P09958 3/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
GLO1 Q04760 1/20 0.34
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL21152279 0.83 SDCBP (0.34) MAPTSDCBPSDC2MEN1KMT2A
SCHEMBL30748708 0.83 SDCBP (0.34) ALDH1A1MAPTFURINSDCBPSDC2
SCHEMBL23071874 0.83 SDCBP (0.37) ALDH1A1MAPTSDCBPSDC2MME
SCHEMBL20529552 0.82 ECE1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL20138623 0.82 ECE1 (0.33) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL20226802 0.80 SDCBP (0.35) MAPTSDCBPSDC2MEN1KMT2A
SCHEMBL18661756 0.80 SDCBP (0.35) MAPTSDCBPSDC2MEN1KMT2A
SCHEMBL23071807 0.80 MEN1 (0.37) MEN1KMT2ACHRNA1CHRNGCHRNB1
SCHEMBL23987811 0.79 MGLL (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL21788091 0.79 FURIN (0.35) FURINCHRNA1CHRNGCHRNB1CHRND

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-10-07 US disclosed
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-06-10 US disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
WO-2018086139-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-05-17 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 (7 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885LMNA 448/4885MAPT 1665/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885LMNA 448/4885MAPT 1665/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885LMNA 448/4885MAPT 1665/4885
US-20210169896-A1 A CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES PBDC1, BRD2, CD79B ALDH1A1 2260/4885LMNA 3775/4885MAPT 2303/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A ALDH1A1 60/4885LMNA 3454/4885MAPT 2442/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885LMNA 448/4885MAPT 1665/4885
US-20210308277-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LINKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS CD2BP2, DCLRE1A, EPCAM ALDH1A1 618/4885LMNA 1970/4885MAPT 3017/4885

“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.