SCHEMBL9893019

SCHEMBL9893019

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.37
PTGER3 P43115 5/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.36
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGDR Q13258 6/20 0.33
MAP4K1 Q92918 1/20 0.32
ADRB1 P08588 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTGER1 P34995 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL16480400 0.82 LMNA (0.38) LMNACYP3A4TP53HPGDHSP90AA1
SCHEMBL9892982 0.81 PTGS2 (0.44) PTGER2PTGER3PTGER4PTGDR
SCHEMBL9893020 0.79 PTGER2 (0.42) PTGER2PTGER3LMNAPTGER4PTGDR
SCHEMBL9891745 0.79 LMNA (0.36) PTGER2PTGER3LMNACYP3A4TP53
SCHEMBL9108218 0.78 LMNA (0.40) PTGER2PTGER3LMNACYP3A4TP53
SCHEMBL9108207 0.78 LMNA (0.40) PTGER2PTGER3LMNACYP3A4TP53
SCHEMBL9893023 0.76 PER2 (0.46) PTGER2PTGER3CYP3A4PTGDRMAP4K1
SCHEMBL9893157 0.76 PTGER2 (0.42) PTGER2PTGER3PTGER4PTGDRMAP4K1
SCHEMBL9892975 0.75 PTGER2 (0.44) PTGER2PTGER3PTGER4PTGDRSMN1; SMN2
SCHEMBL9892976 0.73 PTGER2 (0.41) PTGER2PTGER3PTGER4PTGDRMAP4K1

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 PTGER2 186/4885PTGER3 200/4885LMNA 4696/4885

“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.