SCHEMBL4598129

SCHEMBL4598129

CC(C)(C)OC(=O)N1CCC(N2C(=O)OCC2c2ccsc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.45
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
STS P08842 1/20 0.37
NR1I2 O75469 4/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL4596126 1.00 GPR119 (0.45) GPR119TP53KDM4EMAPTTHRB
SCHEMBL4598582 0.85 GPR119 (0.50) GPR119TP53KDM4EMAPTTHRB
SCHEMBL5576103 0.85 GPR119 (0.50) GPR119TP53KDM4EMAPTTHRB
SCHEMBL6503899 0.85 GPR119 (0.50) GPR119TP53KDM4EMAPTTHRB
SCHEMBL4597612 0.81 GPR119 (0.52) GPR119TP53KDM4EMAPTTHRB
SCHEMBL5576090 0.81 GPR119 (0.52) GPR119TP53KDM4EMAPTTHRB
SCHEMBL5575539 0.80 STS (0.48) GPR119TP53MAPTSTS
SCHEMBL5575543 0.80 STS (0.48) GPR119TP53MAPTSTS
SCHEMBL5573741 0.79 CCR5 (0.51) GPR119TP53KDM4EMAPTTHRB
SCHEMBL5573734 0.79 CCR5 (0.51) GPR119TP53KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 GPR119 229/4885TP53 2854/4885KDM4E 3689/4885

“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.