SCHEMBL4064248

SCHEMBL4064248

CCC(Cn1cnc2ccccc21)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.70
GGPS1 O95749 1/20 0.56
FDPS P14324 1/20 0.56
EGLN3 Q9H6Z9 1/20 0.55
MAPT P10636 3/20 0.54
POLB P06746 2/20 0.54
AGER Q15109 6/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
TNF P01375 1/20 0.49

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
SCHEMBL670049 0.85 APAF1 (0.62) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL2446284 0.82 APAF1 (1.00) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL3796568 0.81 APAF1 (0.67) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL22660983 0.79 APAF1 (0.69) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL5323231 0.79 APAF1 (0.69) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL31469863 0.78 APAF1 (0.62) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL13545635 0.77 APAF1 (0.61) APAF1GGPS1FDPSMAPTPOLB
SCHEMBL6176569 0.75 APAF1 (0.68) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL6175278 0.75 APAF1 (0.68) APAF1GGPS1FDPSEGLN3MAPT
SCHEMBL6791275 0.75 GGPS1 (0.64) APAF1GGPS1FDPSEGLN3MAPT

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
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
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 APAF1 2629/4885GGPS1 1968/4885FDPS 1926/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 APAF1 2417/4885GGPS1 2293/4885FDPS 2006/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 APAF1 2629/4885GGPS1 1968/4885FDPS 1926/4885

“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.