SCHEMBL3758463

SCHEMBL3758463

CC(C)(C)OC(=O)N1CCC(NC(C(=S)CSc2ccncc2)c2ccsc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.46
NFE2L2 Q16236 4/20 0.46
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR119 Q8TDV5 6/20 0.41
USP30 Q70CQ3 1/20 0.41
MMP13 P45452 1/20 0.40
KDR P35968 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL3764139 0.91 ALDH1A1 (0.43) KEAP1NFE2L2ALDH1A1NPC1MAPT
SCHEMBL3758464 0.76 GPR119 (0.46) KEAP1NFE2L2GPR119
SCHEMBL5576009 0.74 ALDH1A1 (0.52) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3764144 0.74 GPR119 (0.47) KEAP1NFE2L2GPR119
SCHEMBL4236453 0.73 ALDH1A1 (0.50) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL4777234 0.69 GPR119 (0.55) KEAP1NFE2L2GPR119
SCHEMBL5649711 0.69 ALDH1A1 (0.55) KEAP1NFE2L2ALDH1A1NPC1MAPT
SCHEMBL4243343 0.69 ALDH1A1 (0.48) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3121165 0.69 ALDH1A1 (0.65) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL3963092 0.68 ALDH1A1 (0.71) KEAP1NFE2L2ALDH1A1NPC1MAPT

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 KEAP1 2625/4885NFE2L2 3160/4885ALDH1A1 3358/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 KEAP1 2625/4885NFE2L2 3160/4885ALDH1A1 3358/4885

“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.