SCHEMBL6805874

SCHEMBL6805874

COc1ccc2c(O[C@@H]3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)ccnc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 10/20 0.41
KDR P35968 4/20 0.39
AURKA O14965 2/20 0.39
TEK Q02763 2/20 0.39
AURKB Q96GD4 1/20 0.38
IDO1 P14902 1/20 0.38
UCHL1 P09936 1/20 0.37
MAPK7 Q13164 1/20 0.37
MCL1 Q07820 2/20 0.36
CSF1R P07333 1/20 0.36
PDGFRB P09619 1/20 0.36
LMNA P02545 1/20 0.36
PDE4B Q07343 1/20 0.36
P2RX3 P56373 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7394071 1.00 MET (0.41) METKDRAURKATEKAURKB
SCHEMBL6805877 1.00 MET (0.41) METKDRAURKATEKAURKB
SCHEMBL1942540 1.00 MET (0.41) METKDRAURKATEKAURKB
SCHEMBL1943053 0.92 P2RX3 (0.43) METKDRAURKATEKAURKB
SCHEMBL16254602 0.92 P2RX3 (0.43) METKDRAURKATEKAURKB
SCHEMBL12035225 0.92 P2RX3 (0.43) METKDRAURKATEKAURKB
SCHEMBL4977481 0.88 LMNA (0.45) IDO1LMNAP2RX3KDM4EL3MBTL1
SCHEMBL8349730 0.88 LMNA (0.45) IDO1LMNAP2RX3KDM4EL3MBTL1
SCHEMBL4977475 0.88 LMNA (0.45) IDO1LMNAP2RX3KDM4EL3MBTL1
SCHEMBL14038667 0.86 MET (0.40) METKDRAURKATEKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455809-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-06-15 EP disclosed
EP-1169339-B1 MACROCYCLIC PEPTIDES INHIBITING THE HEPATITIS C VIRUS NS3 PROTEASE BOEHRINGER INGELHEIM CA LTD (CA) 2004-09-29 EP disclosed
EP-1437362-A1 Macrocyclic peptides inhibiting the hepatitis C virus ns3 protease BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-07-14 EP disclosed
US-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-01-01 US disclosed
US-6608027-B1 Macrocyclic small peptides of low molecular weight that are inhibitory to NS3 protease of hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2003-08-19 US disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20040002448-A1 Macrocyclic peptides active against the hepatitis C virus VIP, FURIN, RNASE1 MET 638/4885KDR 2617/4885AURKA 3153/4885

“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.