SCHEMBL4064253

SCHEMBL4064253

CCC(CC(=O)O)n1cnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
APAF1 O14727 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.46
ASAH1 Q13510 4/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GGPS1 O95749 1/20 0.43
FDPS P14324 1/20 0.43
USP5 P45974 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL668254 0.85 ASAH1 (0.50) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2293973 0.84 HDAC8 (0.61) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2297665 0.84 HDAC8 (0.61) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL8853491 0.82 HPGD (0.56) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL3796572 0.81 EGLN3 (0.49) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL11414055 0.79 MEN1 (0.51) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2296208 0.78 HPGD (0.55) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL10647570 0.78 HPGD (0.44) HPGDHSD17B10MEN1KMT2AHDAC8
Bromide SCHEMBL29283499 0.78 MEN1 (0.50) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL32660132 0.78 MEN1 (0.50) HPGDHSD17B10MEN1KMT2AHDAC8

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 9 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
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 HPGD 407/4885HSD17B10 2388/4885MEN1 4289/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 HPGD 532/4885HSD17B10 3421/4885MEN1 4595/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HPGD 407/4885HSD17B10 2388/4885MEN1 4289/4885

“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.