SCHEMBL4038414

SCHEMBL4038414

CC(C)(C)OC(=O)N(CC(=O)ON1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
F2 P00734 1/20 0.36
GSTO1 P78417 1/20 0.36
MT-CO2 P00403 1/20 0.36
PKM P14618 1/20 0.36
BRD4 O60885 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL11754108 0.81 CHRM2 (0.41) KMT2AALDH1A1POLBL3MBTL1CHRM2
SCHEMBL4815974 0.80 MT-CO2 (0.33) MT-CO2
SCHEMBL4595993 0.79 CTSD (0.32) MT-CO2
SCHEMBL6295798 0.78 MLYCD (0.48) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL219603 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL13747089 0.78 MT-CO2 (0.34) MT-CO2
SCHEMBL2578067 0.78 CA14 (0.33) MT-CO2
SCHEMBL17974957 0.77 MEN1 (0.47) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6215588 0.77 KMT2A (0.43) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL10456359 0.76 CHRM2 (0.37) SMN1; SMN2MEN1CYP2C19KMT2AALDH1A1

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-1343807-B1 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORP (US) 2009-04-29 EP disclosed
US-6911428-B2 Viricides SCHERING CORPORATION (US) 2005-06-28 US disclosed
EP-1343807-A2 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORPORATION (US) 2003-09-17 EP disclosed
US-20020147139-A1 Diaryl peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2002-10-10 US disclosed
WO-2002048172-A2 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORPORATION (US) 2002-06-20 WO disclosed
EP-0099747-B1 C-23-MODIFIED DERIVATIVES OF 5-0-MYCAMINOSYL TYLONOLIDE ELI LILLY AND COMPANY (US) 1987-03-04 EP 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-20020147139-A1 Diaryl peptides as NS3-serine protease inhibitors of hepatitis C virus PRSS1, PEPD, TMPRSS11D SMN1; SMN2 4194/4885MEN1 3347/4885CYP3A4 752/4885

“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.