SCHEMBL4570727

SCHEMBL4570727

CC(C)(C)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
ACHE P22303 1/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 3/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
F10 P00742 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
STS P08842 1/20 0.37
POLB P06746 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
SCHEMBL13534491 0.81 PSEN1 (0.45) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL4570733 0.71 CNR2 (0.42) LMNAF10ALDH1A1MAPK1
SCHEMBL10881769 0.70 ALDH1A1 (0.58) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL3111172 0.69 MMP2 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10879638 0.68 ALDH1A1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1363580 0.66 HTR2A (0.41) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL1786451 0.65 TSHR (0.61) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL4570728 0.65 EEF2K (0.45) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL19449155 0.63 POLB (0.32) POLBALDH1A1
SCHEMBL13594080 0.63 F10 (0.34) F10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178568-B2 Sulfone compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-15 US disclosed
US-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-26 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 (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-20110124696-A1 Sulfone Compounds Which Modulate The CB2 Receptor CNR2, CNR1, TRPV1 LMNA 4742/4885PSEN1 3307/4885PSEN2 2528/4885

“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.