SCHEMBL4070928

SCHEMBL4070928

CC(O)C(O)n1cnc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC8 Q9BY41 1/20 0.47
APAF1 O14727 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
STAT6 P42226 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
USP5 P45974 1/20 0.42
HTT P42858 3/20 0.42
FGFR1 P11362 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.40
AGER Q15109 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL25670036 0.89 MEN1 (0.60) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL6094420 0.89 HSD17B10 (0.58) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL6174314 0.86 MEN1 (0.60) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL6284930 0.86 MEN1 (0.60) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL250816 0.85 MEN1 (0.64) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL1027011 0.81 HPGD (0.68) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL2146965 0.81 MEN1 (0.68) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL7514337 0.81 HSD17B10 (0.58) MEN1HPGDKMT2AHSD17B10HDAC8
Hydrochloric Acid SCHEMBL9787788 0.79 HPGD (0.66) MEN1HPGDKMT2AHSD17B10HDAC8
SCHEMBL4233005 0.79 MEN1 (0.66) MEN1HPGDKMT2AHSD17B10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 MEN1 4289/4885HPGD 407/4885KMT2A 4522/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 MEN1 4595/4885HPGD 532/4885KMT2A 4512/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 MEN1 4289/4885HPGD 407/4885KMT2A 4522/4885

“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.