SCHEMBL4458000

SCHEMBL4458000

COC(=O)C1CC(OC(=O)N2Cc3ccccc3C2)CN1C(=O)C(NC(=O)OCC(C)(C)C)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
XIAP P98170 2/20 0.33
BIRC3 Q13489 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ELANE P08246 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MMP2 P08253 1/20 0.33
POLB P06746 1/20 0.32
F12 P00748 1/20 0.32
AGTR2 P50052 1/20 0.32
ADAM10 O14672 1/20 0.32
MMP1 P03956 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL13594519 1.00 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8239022 0.93 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL4407708 0.93 DPP8 (0.37) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8189392 0.91 NAMPT (0.34) DPP8DPP9
SCHEMBL8241586 0.90 ELANE (0.40) DPP8DPP9DPP4DPP7ELANE
SCHEMBL4407737 0.90 ELANE (0.40) DPP8DPP9DPP4DPP7ELANE
SCHEMBL8230784 0.86 ELANE (0.34) DPP8DPP9DPP4DPP7XIAP
SCHEMBL8230244 0.85 HTRA1 (0.37) DPP8DPP9XIAPBIRC3ELANE
SCHEMBL4406606 0.85 XIAP (0.33) DPP8DPP9XIAPBIRC3ELANE
SCHEMBL4566115 0.85 DPP8 (0.33) DPP8DPP9DPP4DPP7XIAP

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-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION 2009-12-10 US disclosed
EP-2029153-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR Phenomix Corporation (US) 2009-03-04 EP disclosed
WO-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 WO 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-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, CTSC, PEPD DPP8 8/4885DPP9 45/4885DPP4 13/4885

“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.