SCHEMBL5514975

SCHEMBL5514975

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.43
PEPD P12955 1/20 0.39
XPNPEP1 Q9NQW7 1/20 0.39
ITGB3 P05106 10/20 0.39
ITGA2B P08514 10/20 0.39
CTSK P43235 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
CFD P00746 1/20 0.35
KEAP1 Q14145 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5516892 0.91 ITGB3 (0.45) PIN1PEPDXPNPEP1ITGB3ITGA2B
SCHEMBL5520395 0.83 DPP8 (0.44) PIN1ITGB3ITGA2BCTSKCMA1
SCHEMBL5206182 0.80 PIN1 (0.47) PIN1PEPDXPNPEP1
SCHEMBL5203233 0.79 PIN1 (0.54) PIN1PEPDXPNPEP1CTSKHDAC8
SCHEMBL5206049 0.79 PIN1 (0.57) PIN1PEPDXPNPEP1CTSKHDAC8
SCHEMBL5205944 0.78 PIN1 (0.53) PIN1PEPDXPNPEP1CTSKHDAC1
SCHEMBL5203122 0.78 PIN1 (0.53) PIN1PEPDXPNPEP1CTSKHDAC1
SCHEMBL8471958 0.77 ACE (0.38) ITGB3ITGA2BCTSKHDAC1HDAC8
SCHEMBL20608551 0.74 CTSK (0.46) CTSKCYP1A2CYP2C9CYP2C19HTT
SCHEMBL11169650 0.74 CTSK (0.46) CTSKCYP1A2CYP2C9CYP2C19HTT

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 PIN1 105/4885PEPD 7/4885XPNPEP1 456/4885

“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.