SCHEMBL5579337

SCHEMBL5579337

O=C(NCCCBr)OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
NAAA Q02083 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 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
SCHEMBL9801767 0.88 HDAC3 (0.51) BCHETDP1TSHRSLC6A2SLC6A3
SCHEMBL11280450 0.84 BCHE (0.57) BCHETSHRLMNAHTTNAAA
SCHEMBL7896669 0.83 POLB (0.51) TDP1TSHRNAAAHDAC3HDAC4
SCHEMBL28543783 0.83 TDP1 (0.64) TDP1SLC6A2SLC6A3KMT2ANPC1
SCHEMBL11507378 0.82 BCHE (0.39) BCHETDP1TSHRSLC6A2SLC6A3
SCHEMBL9668519 0.81 POLB (0.50) TDP1TSHRSLC6A2SLC6A3KMT2A
SCHEMBL27157765 0.81 NAAA (0.65) BCHEHTTNAAA
SCHEMBL4228319 0.81 NAAA (0.65) BCHEHTTNAAA
SCHEMBL1902999 0.81 MAPK1 (0.55) TSHRKMT2ALMNAHTTHDAC3
SCHEMBL28676424 0.80 KDM4E (0.52) TSHRKMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236756-B2 HIV protease inhibitory compounds with ameliorated solubility and/or bioavailability; conjugates of therapeutic compound and a peptide wherein the conjugate is cleavable by dipeptidyl-peptidases Consejo Superior de Investigaciones Clentificas (CSIC) (ES) 2012-08-07 US disclosed
US-20070275900-A1 Prodrugs Cleavable by Cd26 K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2007-11-29 US disclosed
EP-1620130-A1 PRODRUGS CLEAVABLE BY CD26 K.U. Leuven Research & Development (BE) 2006-02-01 EP disclosed
WO-2004098644-A1 PRODRUGS CLEAVABLE BY CD26 K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-11-18 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 (1 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-20070275900-A1 Prodrugs Cleavable by Cd26 DPP4, DNPEP, DPP3 BCHE 83/4885TDP1 1385/4885TSHR 2676/4885

“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.