SCHEMBL8199546

SCHEMBL8199546

COC(=O)[C@@H]1C[C@@H](OC(=O)N2Cc3ccccc3C2)CN1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 1/20 0.51
MMP1 P03956 1/20 0.51
ERBB2 P04626 1/20 0.51
DPP8 Q6V1X1 9/20 0.46
DPP7 Q9UHL4 8/20 0.46
DPP9 Q86TI2 6/20 0.46
HDAC2 Q92769 3/20 0.44
DPP4 P27487 6/20 0.43
FAP Q12884 3/20 0.43
PIM1 P11309 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL8190780 1.00 ADAM10 (0.51) ADAM10MMP1ERBB2DPP8DPP7
Hydrochloric Acid SCHEMBL4406305 0.99 ADAM10 (0.50) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL2098678 0.92 ADAM10 (0.49) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL2098675 0.92 ADAM10 (0.49) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL7857753 0.92 ADAM10 (0.49) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL416579 0.92 ADAM10 (0.49) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL2098781 0.92 ADAM10 (0.49) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL8193679 0.88 DPP8 (0.43) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL8060188 0.88 DPP8 (0.43) ADAM10MMP1ERBB2DPP8DPP7
SCHEMBL8117948 0.87 ADAM10 (0.41) ADAM10MMP1ERBB2DPP8DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2010-05-13 US disclosed
WO-2009152051-A1 SYNTHESIS OF A MACROCYCLIC HCV PROTEASE INHIBITOR PHENOMIX CORPORATION (US) 2009-12-17 WO disclosed
US-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION 2009-12-10 US disclosed
US-20090304631-A1 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION 2009-12-10 US disclosed
WO-2008070733-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2008-06-12 WO 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 (2 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 ADAM10 121/4885MMP1 504/4885ERBB2 4763/4885
US-20100120716-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PREP, HPN, PEPD ADAM10 161/4885MMP1 386/4885ERBB2 3883/4885

“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.