SCHEMBL10174287

SCHEMBL10174287

CCCCOC(=O)[C@@H](NC(=O)CNC(=O)C(O)C(CCC)NCl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
GPR88 Q9GZN0 6/20 0.40
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP14 P50281 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
SCHEMBL16349034 0.92 NPC1 (0.41) CTSDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13711058 0.88 CTSL (0.43) CTSDGPR88
SCHEMBL8351985 0.87 CTSK (0.47) SMN1; SMN2NPC1RAB9ALMNAGPR88
SCHEMBL8352593 0.87 NPC1 (0.42) SMN1; SMN2NPC1RAB9ALMNAGPR88
SCHEMBL13770905 0.84 GPR88 (0.45) CTSDGPR88
SCHEMBL13710898 0.81 CTSK (0.41) SMN1; SMN2NPC1RAB9ALMNAGPR88
SCHEMBL14470120 0.79 MASP2 (0.34) CTSDSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13707847 0.78 CYP3A4 (0.42) GPR88
SCHEMBL3213229 0.78 MMP2 (0.46) GPR88MMP2MMP9MMP1MMP3
SCHEMBL8355386 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ALMNAGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 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 (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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CTSD 213/4885SMN1; SMN2 3286/4885NPC1 1099/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CTSD 213/4885SMN1; SMN2 3286/4885NPC1 1099/4885

“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.