SCHEMBL8295097

SCHEMBL8295097

CC(C)CN1C(=O)CC(c2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.48
CYP19A1 P11511 6/20 0.48
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
GRM2 Q14416 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
SCHEMBL16350192 0.82 TSHR (0.62) KMT2ATSHRGPBAR1CYP19A1MEN1
SCHEMBL31030081 0.79 KMT2A (0.58) KMT2ATSHRCYP19A1MEN1SMN1; SMN2
SCHEMBL20079364 0.79 CYP19A1 (0.73) KMT2ATSHRALDH1A1GPBAR1CYP19A1
SCHEMBL11059283 0.79 KMT2A (0.57) KMT2ATSHRALDH1A1CYP19A1MEN1
SCHEMBL3602720 0.78 ALDH1A1 (0.59) KMT2ATSHRALDH1A1MEN1SMN1; SMN2
SCHEMBL14560410 0.77 CYP19A1 (0.74) KMT2ATSHRALDH1A1GPBAR1CYP19A1
SCHEMBL26744125 0.76 KMT2A (0.58) KMT2ATSHRALDH1A1CYP19A1MEN1
SCHEMBL16017647 0.76 KMT2A (0.62) KMT2ATSHRALDH1A1CYP19A1MEN1
SCHEMBL8364956 0.75 CYP19A1 (0.76) KMT2ATSHRALDH1A1GPBAR1CYP19A1
SCHEMBL23253026 0.74 KMT2A (0.55) KMT2ATSHRCYP19A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB KMT2A 1104/4885TSHR 4715/4885ALDH1A1 2164/4885

“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.