SCHEMBL9893100

SCHEMBL9893100

C=C(C)OC(=O)N(C)c1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
PTGER2 P43116 3/20 0.34
PTGER3 P43115 2/20 0.34
CNR2 P34972 7/20 0.33
P2RX7 Q99572 2/20 0.32
F10 P00742 1/20 0.32
PTGDR Q13258 2/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
ATM Q13315 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL9103377 0.84 PHGDH (0.41) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9103390 0.84 PHGDH (0.41) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL2572517 0.83 HDAC6 (0.39) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9106214 0.83 HDAC6 (0.39) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL16542478 0.75 PTGER2 (0.40) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9108207 0.75 LMNA (0.40) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9108218 0.75 LMNA (0.40) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9108663 0.73 KMT2A (0.51) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9108668 0.73 KMT2A (0.51) PHGDHTDP1KMT2APTGER2PTGER3
SCHEMBL9107624 0.72 TDP1 (0.59) TDP1KMT2ACYP2C19

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 PHGDH 3135/4885TDP1 4464/4885KMT2A 3551/4885

“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.