SCHEMBL9891735

SCHEMBL9891735

CC(C)(C)C1CCC(=O)N1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
PTGS2 P35354 4/20 0.44
PTGS1 P23219 2/20 0.44
GPR119 Q8TDV5 9/20 0.39
HSD11B1 P28845 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GRIA2 P42262 1/20 0.35

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
SCHEMBL9891745 0.81 LMNA (0.36) CNR2GRIA2
SCHEMBL16480371 0.80 PTGS2 (0.47) CNR2PTGS2PTGS1GPR119HSD11B1
SCHEMBL9891746 0.80 CNR2 (0.45) CNR2PTGS2HSD11B1CYP1A2
SCHEMBL9891736 0.80 ALDH1A1 (0.41) HDAC1HDAC8HDAC6
SCHEMBL9891734 0.78 CRHBP (0.43)
SCHEMBL9891747 0.78 CNR2 (0.47) CNR2HDAC1HDAC8HDAC6
SCHEMBL9891743 0.78 PTGER2 (0.36) CNR2HDAC1HDAC8HDAC6
SCHEMBL9892982 0.77 PTGS2 (0.44) CNR2PTGS2PTGS1GPR119HSD11B1
SCHEMBL9891733 0.77 CNR2 (0.47) CNR2
SCHEMBL9104782 0.75 CNR2 (0.55) CNR2PTGS2PTGS1GPR119HDAC1

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 CNR2 1/4885PTGS2 240/4885PTGS1 175/4885

“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.