SCHEMBL13318554

SCHEMBL13318554

COc1ccc(-c2cccs2)c(C=C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
MAPT P10636 8/20 0.45
KDM4E B2RXH2 4/20 0.45
GAA P10253 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ERN1 O75460 3/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
ALOX15 P16050 1/20 0.43
TNFRSF1A P19438 3/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL8034332 0.82 MAOB (0.48) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL3680495 0.82 ERN1 (0.52) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL13351480 0.81 MAOB (0.50) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL13318665 0.77 LTA4H (0.44) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL3690457 0.75 MEN1 (0.66) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL10072606 0.75 MAOB (0.52) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL13318681 0.75 GABRA1 (0.41) KMT2AKDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL7918305 0.75 MAOB (0.42) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL8381118 0.75 MAPT (0.44) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL28476825 0.74 MAOB (0.51) MAOBMEN1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 US disclosed
US-8426360-B2 Carbocyclic oxime hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8426360-B2 Carbocyclic oxime hepatitis C virus serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-04-23 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-8361958-B2 Oximyl HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 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 (6 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-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS MAOB 400/4885MEN1 4620/4885KMT2A 2022/4885
US-20080292587-A1 OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS DPP4, PREP, PEPD MAOB 679/4885MEN1 4522/4885KMT2A 2390/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 MAOB 2465/4885MEN1 3935/4885KMT2A 2768/4885
US-20090155210-A1 OXIMYL HCV SERINE PROTEASE INHIBITORS PRSS1, HPN, SPINT2 MAOB 480/4885MEN1 4811/4885KMT2A 2543/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS MAOB 400/4885MEN1 4620/4885KMT2A 2022/4885
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS CCNE2, CYP4A22, CCNE1 MAOB 490/4885MEN1 4687/4885KMT2A 2341/4885

“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.