SCHEMBL4037442

SCHEMBL4037442

CCS(=O)(=O)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 9/20 0.77
CYP1A2 P05177 2/20 0.77
AHR P35869 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
MAOB P27338 1/20 0.56
SLC47A1 Q96FL8 1/20 0.56
CETP P11597 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46

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
Ezutromid SCHEMBL31080435 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAOB
Ezutromid SCHEMBL732212 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAOB
Ezutromid SCHEMBL29376738 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAOB
Ezutromid SCHEMBL30791155 0.87 UTRN (1.00) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2246048 0.85 UTRN (0.74) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2245790 0.82 UTRN (0.77) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2243039 0.81 UTRN (0.77) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2243160 0.81 UTRN (0.72) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2244375 0.80 UTRN (0.71) UTRNCYP1A2AHRHDAC6MAOB
SCHEMBL2245091 0.80 UTRN (0.78) UTRNCYP1A2AHRHDAC6MAOB

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
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO 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

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 UTRN 3665/4885CYP1A2 1259/4885AHR 2349/4885

“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.