SCHEMBL3758464

SCHEMBL3758464

CC(C)(C)OC(=O)N1CCC(N(Cc2ccsc2)C(=S)CSc2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.46
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SLC2A1 P11166 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3764144 0.92 GPR119 (0.47) GPR119KEAP1NFE2L2SLC2A1TP53
SCHEMBL3758467 0.83 GPR119 (0.45) GPR119KEAP1NFE2L2SLC2A1TP53
SCHEMBL3754821 0.77 CCR5 (0.44)
SCHEMBL3758463 0.76 KEAP1 (0.46) GPR119KEAP1NFE2L2
SCHEMBL3757151 0.76 GPR119 (0.50) GPR119TP53LMNA
SCHEMBL3764139 0.74 ALDH1A1 (0.43) GPR119KEAP1NFE2L2
SCHEMBL4236458 0.74 GPR119 (0.51) GPR119TP53LMNA
SCHEMBL4243344 0.72 GPR119 (0.48) GPR119TP53LMNA
SCHEMBL3764336 0.71 CCR5 (0.46)
SCHEMBL5649714 0.70 GPR119 (0.61) GPR119SLC2A1

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 GPR119 207/4885KEAP1 2625/4885NFE2L2 3160/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 GPR119 207/4885KEAP1 2625/4885NFE2L2 3160/4885

“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.