SCHEMBL5516892

SCHEMBL5516892

CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)N1CC(F)CC1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.45
ITGA2B P08514 11/20 0.45
PIN1 Q13526 1/20 0.44
CMA1 P23946 3/20 0.42
CTRC Q99895 2/20 0.42
KEAP1 Q14145 2/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PEPD P12955 1/20 0.38
XPNPEP1 Q9NQW7 1/20 0.38

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
SCHEMBL5514975 0.91 PIN1 (0.43) ITGB3ITGA2BPIN1CMA1CTRC
SCHEMBL5520395 0.84 DPP8 (0.44) ITGB3ITGA2BPIN1CMA1CTRC
SCHEMBL5206182 0.81 PIN1 (0.47) PIN1PEPDXPNPEP1
SCHEMBL5203233 0.80 PIN1 (0.54) PIN1CMA1HDAC8PEPDXPNPEP1
SCHEMBL5205944 0.79 PIN1 (0.53) PIN1HDAC1HDAC8PEPDXPNPEP1
SCHEMBL5203122 0.79 PIN1 (0.53) PIN1HDAC1HDAC8PEPDXPNPEP1
SCHEMBL5206049 0.77 PIN1 (0.57) PIN1CMA1HDAC8PEPDXPNPEP1
SCHEMBL8479981 0.74 CMA1 (0.42) ITGB3ITGA2BCMA1CTRCHDAC1
SCHEMBL8478910 0.74 CMA1 (0.42) ITGB3ITGA2BCMA1CTRCHDAC1
SCHEMBL8461423 0.73 CTSK (0.47)

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-20070093492-A1 Pyrrolidine derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-04-26 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-20070093492-A1 Pyrrolidine derivatives DPP4, DPP7, DPP3 ITGB3 4706/4885ITGA2B 4696/4885PIN1 105/4885

“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.