SCHEMBL9893152

SCHEMBL9893152

C=C1CC[C@@H](C(=O)O)N1c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGS2 P35354 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PTGS1 P23219 2/20 0.38
FFAR2 O15552 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
AKR1C3 P42330 1/20 0.37
KMT2A Q03164 1/20 0.36
STING1 Q86WV6 1/20 0.36

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
SCHEMBL16530603 0.84 CNR2 (0.55) CNR2HDAC1HDAC8HDAC6PTGS2
SCHEMBL9104782 0.84 CNR2 (0.55) CNR2HDAC1HDAC8HDAC6PTGS2
SCHEMBL28326096 0.73 AKR1C3 (0.42) PTGS2FFAR2GPR119AKR1C3
SCHEMBL28204143 0.73 AKR1C3 (0.42) PTGS2FFAR2GPR119AKR1C3
SCHEMBL14343702 0.71 CA2 (0.46) ALDH1A1HTTGPR119AKR1C3
SCHEMBL14343700 0.71 CA2 (0.46) ALDH1A1HTTGPR119AKR1C3
SCHEMBL2706429 0.70 ALDH1A1 (0.68) ALDH1A1HTT
SCHEMBL2706426 0.70 ALDH1A1 (0.68) ALDH1A1HTT
SCHEMBL9108207 0.67 LMNA (0.40) CNR2ALDH1A1HTTKMT2A
SCHEMBL9108218 0.67 LMNA (0.40) CNR2ALDH1A1HTTKMT2A

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 CNR2 1/4885HDAC1 1767/4885HDAC8 2405/4885

“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.