Sugi Predict

Sugi Predict / Compounds / SCHEMBL352166

SCHEMBL352166

SCHEMBL352166

Cn1nc(C(C)(C)C)cc1C(=O)COC(=O)C(C)(C)S(=O)(=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 3/20 0.42
▸ SORT1 Q99523 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CACNA1H O95180 1/20 0.36
▸ CCR8 P51685 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GALR3 O60755 3/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK13 O15264 2/20 0.33
▸ MAPK12 P53778 2/20 0.33
▸ MAPK11 Q15759 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL352506 0.81 KDM4E (0.42) GRNSORT1KDM4ECACNA1HCCR8
SCHEMBL351963 0.78 CNR2 (0.44) GRNSORT1KDM4ECACNA1HCCR8
SCHEMBL351492 0.78 GRN (0.48) GRNSORT1KDM4ELMNATSHR
SCHEMBL352111 0.76 PHGDH (0.47) GRNSORT1KDM4EGAAGALR3
SCHEMBL353275 0.76 CNR2 (0.57) GRNSORT1KDM4EMAPK13MAPK12
SCHEMBL1621077 0.73 CNR2 (0.57) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL1619502 0.72 CNR2 (0.58) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL352601 0.72 CNR2 (0.43) GRNSORT1KDM4ECCR8MAPK13
SCHEMBL4013405 0.69 CNR2 (0.48) LMNAMAPK13MAPK12MAPK11MAPK14
SCHEMBL1621536 0.69 ALDH1A1 (0.37) GAALMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 — — EP disclosed
EP-2418207-A1 Sulfone compounds which modulate the CB2 receptor Boehringer Ingelheim International GmbH (DE) 2012-02-15 — — EP disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 — — US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 — — US disclosed
US-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-19 — — US disclosed
WO-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 — — 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-20120015988-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 GRN 4810/4885SORT1 2723/4885KDM4E 2157/4885

“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.