SCHEMBL4067440

SCHEMBL4067440

CCOC(=O)Cc1cccnc1COC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
TBXAS1 P24557 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
DPP4 P27487 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL4061267 0.84 MAPT (0.52) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL3595140 0.80 MAPT (0.48) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL31088058 0.79 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1HSD17B10KDM4E
SCHEMBL4062858 0.79 ALDH1A1 (0.46) MAPTMAPK1ALDH1A1HSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL27803914 0.78 MAPT (0.48) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL3587106 0.78 MAPT (0.46) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL6642153 0.78 MAPT (0.46) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL27563569 0.78 SMN1; SMN2 (0.47) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL9370451 0.78 MAPT (0.49) MAPTPKMMAPK1TBXAS1LMNA
SCHEMBL6344652 0.77 MAPT (0.54) MAPTPKMMAPK1TBXAS1LMNA

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 MAPT 4540/4885PKM 3657/4885MAPK1 1891/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 MAPT 4266/4885PKM 4061/4885MAPK1 2094/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 MAPT 4540/4885PKM 3657/4885MAPK1 1891/4885

“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.