SCHEMBL71846

SCHEMBL71846

CC(=O)c1ccc(CN(CCC(=O)O)C(=O)CC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
HDAC1 Q13547 7/20 0.47
HDAC6 Q9UBN7 7/20 0.47
HDAC3 O15379 3/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 2/20 0.44
PYCR1 P32322 1/20 0.44
LMNA P02545 1/20 0.44
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC4 P56524 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 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
SCHEMBL70979 0.80 PYCR1 (0.59) HSD17B10HDAC1ALDH1A1KMT2APYCR1
SCHEMBL8256844 0.77 HSD17B10 (0.47) HSD17B10HDAC1HDAC6HDAC3HDAC2
SCHEMBL14089388 0.75 HDAC3 (0.46) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL34460422 0.75 HDAC1 (0.52) HSD17B10HDAC1HDAC6HDAC3HDAC2
SCHEMBL10972161 0.74 USP2 (0.40) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL91070 0.74 HDAC1 (0.55) HSD17B10HDAC1HDAC6HDAC3HDAC2
SCHEMBL13202551 0.74 HSD17B10 (0.44) HSD17B10HDAC1HDAC6HDAC3HDAC2
SCHEMBL71560 0.74 TRPM8 (0.48) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL13472619 0.73 ALDH1A1 (0.54) HSD17B10ALDH1A1KMT2ALMNANPC1
SCHEMBL82223 0.72 HSD17B10 (1.00) HSD17B10HDAC1HDAC6HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8129343-B2 Acylated GLP-1 compounds NOVO NORDISK A/S (DK) 2012-03-06 US disclosed
US-20090156478-A1 Acylated GLP-1 Compounds NOVO NORDISK A/S (DK) 2009-06-18 US disclosed
US-20080207507-A1 Extended Glp-1 Compounds NOVO NORDISK A/S (DK) 2008-08-28 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 (3 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-20080207507-A1 Extended Glp-1 Compounds GLP1R, GIPR, IAPP HSD17B10 1994/4885HDAC1 1970/4885HDAC6 1026/4885
US-20090156478-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR HSD17B10 672/4885HDAC1 393/4885HDAC6 227/4885
US-20120295847-A1 Acylated GLP-1 Compounds GLP1R, GIPR, GCGR HSD17B10 672/4885HDAC1 393/4885HDAC6 227/4885

“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.