SCHEMBL3528128

SCHEMBL3528128

CS(=O)(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)N3C(=O)O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.44
CHEK1 O14757 1/20 0.39
NTRK1 P04629 1/20 0.39
MET P08581 1/20 0.39
PIM1 P11309 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
MAP2K2 P36507 1/20 0.39
CDK8 P49336 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAP4K2 Q12851 1/20 0.39
DYRK1A Q13627 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALOX15 P16050 2/20 0.39
YAP1 P46937 1/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13543526 0.85 GPR119 (0.61) GPR119
SCHEMBL13545252 0.84 GPR119 (0.46) GPR119CHEK1NTRK1METPIM1
SCHEMBL3528454 0.83 ALDH1A1 (0.51) GPR119ALDH1A1
SCHEMBL3528450 0.83 ALDH1A1 (0.51) GPR119ALDH1A1
SCHEMBL3527430 0.81 HDAC1 (0.43) CHEK1NTRK1METPIM1LTK
SCHEMBL7226906 0.77 GAA (0.50) ALDH1A1
SCHEMBL7237208 0.77 GAA (0.50) ALDH1A1
SCHEMBL4396685 0.77 GAA (0.50) ALDH1A1
SCHEMBL5821200 0.73 MEN1 (0.38) ALDH1A1
SCHEMBL7182021 0.73 CHEK1 (0.44) GPR119CHEK1NTRK1METPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 GPR119 120/4885CHEK1 1023/4885NTRK1 4013/4885

“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.