SCHEMBL9892982

SCHEMBL9892982

CCC1CCC(=O)N1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
PTGS1 P23219 2/20 0.44
CNR2 P34972 1/20 0.43
PTGER2 P43116 3/20 0.40
PTGER3 P43115 1/20 0.40
GPR119 Q8TDV5 3/20 0.37
HSD11B1 P28845 1/20 0.36
PTGER4 P35408 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PTGDR Q13258 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
SCHEMBL9893019 0.81 PTGER2 (0.37) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9893023 0.80 PER2 (0.46) CNR2PTGER2PTGER3HSD11B1PTGDR
SCHEMBL16480371 0.80 PTGS2 (0.47) PTGS2PTGS1CNR2GPR119HSD11B1
SCHEMBL9893157 0.80 PTGER2 (0.42) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9892975 0.80 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9893017 0.78 KMT2A (0.46)
SCHEMBL9892976 0.78 PTGER2 (0.41) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9891735 0.77 CNR2 (0.48) PTGS2PTGS1CNR2GPR119HSD11B1
SCHEMBL9892973 0.77 ELANE (0.43) CNR2PTGER2PTGER3PTGER4PTGDR
SCHEMBL9892985 0.77 PTGER2 (0.48) CNR2PTGER2PTGER3HDAC1HDAC8

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

“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.