SCHEMBL9891875

SCHEMBL9891875

CC(C)(C)C1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
TRPA1 O75762 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD11B1 P28845 2/20 0.43
AKR1C3 P42330 2/20 0.43
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9891506 0.91 HCRTR1 (0.42) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL9891872 0.87 PSEN1 (0.61) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL9891873 0.84 BRD4 (0.55) HCRTR1HCRTR2TRPA1ALDH1A1HSD11B1
SCHEMBL16253036 0.82 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL16253044 0.80 MMP1 (0.59) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL6184031 0.80 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL16480428 0.80 PSEN1 (0.68) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL6184028 0.78 HCRTR1 (0.51) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL2706429 0.76 ALDH1A1 (0.68) HCRTR1HCRTR2ALDH1A1HTTTSHR
SCHEMBL9893151 0.76 PSEN1 (0.70) HCRTR1HCRTR2PSEN1PSEN2APH1B

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 HCRTR1 221/4885HCRTR2 142/4885PSEN1 3321/4885

“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.