SCHEMBL3922240

SCHEMBL3922240

CC(C)(C)OC(=O)[C@H]1CN(c2ncnc3cc(OS(=O)(=O)c4ccccc4S(C)(=O)=O)ccc23)C[C@H]1N1CCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.34
▸ DPP8 Q6V1X1 2/20 0.34
▸ PDGFRB P09619 8/20 0.33
▸ BTK Q06187 1/20 0.32
▸ KIT P10721 3/20 0.31
▸ CYP3A4 P08684 1/20 0.30
▸ PDGFRA P16234 1/20 0.30

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
SCHEMBL4137706 0.87 DPP4 (0.47) DPP4DPP8PDGFRBBTKKIT
SCHEMBL8221016 0.77 DPP4 (0.43) DPP4DPP8PDGFRBKIT
SCHEMBL3928397 0.77 DPP4 (0.45) DPP4DPP8PDGFRB
SCHEMBL3919096 0.74 DPP4 (0.48) DPP4DPP8PDGFRBKIT
SCHEMBL3924048 0.72 DPP4 (0.46) DPP4DPP8
SCHEMBL3920145 0.71 DPP4 (0.49) DPP4DPP8
SCHEMBL3920129 0.70 DPP4 (0.44) DPP4DPP8
SCHEMBL3930794 0.68 KIT (0.45) DPP4DPP8PDGFRBKIT
SCHEMBL3930801 0.68 KIT (0.45) DPP4DPP8PDGFRBKIT
SCHEMBL3923064 0.64 DPP4 (0.48) DPP4DPP8KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 — — US disclosed
WO-2007148185-A2 SUBSTITUTED 3 -AMINO- PYRROLIDINO-4 -LACTAMS AS DPP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-12-27 — — WO disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 — — 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-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 DPP4 783/4885DPP8 1978/4885PDGFRB 910/4885

“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.

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