SCHEMBL9106824

SCHEMBL9106824

COCc1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.44
PTGDR Q13258 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
PHGDH O43175 1/20 0.41
KMT2A Q03164 2/20 0.41
PTGER3 P43115 3/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
P2RX7 Q99572 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACE P12821 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2568393 1.00 PTGER2 (0.44) PTGER2PTGDRTDP1PHGDHKMT2A
SCHEMBL9105521 0.85 ALDH1A1 (0.46) PTGER2PTGDRTDP1PHGDHPTGER3
SCHEMBL9105511 0.85 ALDH1A1 (0.46) PTGER2PTGDRTDP1PHGDHPTGER3
SCHEMBL3805887 0.83 PHGDH (0.41) PTGER2PTGDRTDP1PHGDHKMT2A
SCHEMBL9107636 0.82 TDP1 (0.59) TDP1KMT2AALDH1A1
SCHEMBL9104331 0.82 P2RX7 (0.41) PTGER2PTGDRTDP1PHGDHPTGER3
SCHEMBL13284548 0.82 PHGDH (0.41) PTGER2PTGDRTDP1PHGDHKMT2A
SCHEMBL9107624 0.82 TDP1 (0.59) TDP1KMT2AALDH1A1
SCHEMBL9106669 0.82 P2RX7 (0.41) PTGER2PTGDRTDP1PHGDHPTGER3
SCHEMBL13284935 0.81 ESR1 (0.46) PTGER2PTGDRTDP1PHGDHKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 PTGER2 186/4885PTGDR 9/4885TDP1 4464/4885

“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.