SCHEMBL20223166

SCHEMBL20223166

CCS(=O)(=O)CCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SLC15A2 Q16348 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.33
PAOX Q6QHF9 1/20 0.33
TRPA1 O75762 1/20 0.32
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL8984274 0.88 APEX1 (0.55) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL8984339 0.84 APEX1 (0.46) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL23531323 0.81 APEX1 (0.48) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL19658289 0.80 APEX1 (0.42) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL13901852 0.79 APEX1 (0.46) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL7131000 0.78 APEX1 (0.74) ALDH1A1APEX1TDP1LMNAKMT2A
SCHEMBL22598062 0.77 PAOX (0.44) ALDH1A1APEX1LMNAKMT2AHTT
SCHEMBL11246621 0.76 APEX1 (0.42) APEX1LMNAKMT2APOLBCES2
SCHEMBL9626977 0.76 TSHR (0.50) ALDH1A1APEX1LMNAKMT2A
Hydrochloric Acid SCHEMBL10583773 0.76 APEX1 (0.70) ALDH1A1APEX1TDP1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2018-06-07 US disclosed
US-9012398-B2 Acylated exendin-4 compounds NOVO NORDISK A/S (DK) 2015-04-21 US disclosed
US-8835379-B2 Derivatives of CGRP NOVO NORDISK A/S (DK) 2014-09-16 US disclosed
US-8536122-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2013-09-17 US disclosed
US-20120295847-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2012-11-22 US disclosed
US-20120283170-A1 Acylated Exendin-4 Compounds NOVO NORDISK A/S (DK) 2012-11-08 US disclosed
US-20120245083-A1 Derivatives of CGRP NOVO NORDISK A/S (DK) 2012-09-27 US 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-20120295847-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR ALDH1A1 1380/4885APEX1 2434/4885TDP1 3207/4885
US-20120283170-A1 Acylated Exendin-4 Compounds GLP1R, VIP, IAPP ALDH1A1 4133/4885APEX1 3233/4885TDP1 4516/4885
US-20120245083-A1 Derivatives of CGRP CALCB, CALCA, CALCRL ALDH1A1 1201/4885APEX1 3485/4885TDP1 3102/4885
US-20180154018-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP ALDH1A1 3141/4885APEX1 1213/4885TDP1 2169/4885

“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.