SCHEMBL9893151

SCHEMBL9893151

CCC1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.70
PSEN2 P49810 2/20 0.70
APH1B Q8WW43 2/20 0.70
NCSTN Q92542 2/20 0.70
APH1A Q96BI3 2/20 0.70
PSENEN Q9NZ42 2/20 0.70
TSHR P16473 3/20 0.67
TP53 P04637 1/20 0.67
POLB P06746 2/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.52
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.50
BRCA1 P38398 1/20 0.50

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
SCHEMBL12169293 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19000604 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12170345 0.87 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9893067 0.87 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12740281 0.84 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14132587 0.84 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12170344 0.83 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9893060 0.83 PSEN1 (0.64) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5251802 0.82 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13037004 0.80 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PSEN1 3321/4885PSEN2 3028/4885APH1B 1785/4885

“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.