SCHEMBL9893060

SCHEMBL9893060

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.64
PSEN2 P49810 2/20 0.64
APH1B Q8WW43 2/20 0.64
NCSTN Q92542 2/20 0.64
APH1A Q96BI3 2/20 0.64
PSENEN Q9NZ42 2/20 0.64
BRD4 O60885 5/20 0.63
BRD2 P25440 4/20 0.63
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.61
BRD3 Q15059 3/20 0.56
BRDT Q58F21 3/20 0.56
CASP3 P42574 2/20 0.53
CASP7 P55210 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.52
MAPK1 P28482 1/20 0.52
BRCA1 P38398 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5717132 0.96 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12740281 0.88 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13907417 0.85 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14132307 0.84 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19000604 0.83 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12169293 0.83 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9893151 0.83 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3555295 0.83 HSD11B1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9893067 0.82 PSEN1 (0.92) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12170345 0.82 PSEN1 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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.