SCHEMBL3680495

SCHEMBL3680495

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.52
MAOB P27338 2/20 0.51
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 6/20 0.46
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
TNFRSF1A P19438 2/20 0.44
HPGD P15428 2/20 0.42
HSP90AA1 P07900 1/20 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
SCHEMBL6040729 0.88 MAOB (0.51) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL8034332 0.85 MAOB (0.48) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL13351480 0.84 MAOB (0.50) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL13318554 0.82 MAOB (0.46) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL6744773 0.80 ERN1 (0.58) ERN1MAPTKDM4ENPC1RAB9A
SCHEMBL31231819 0.78 ERN1 (0.54) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL3690457 0.78 MEN1 (0.66) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL10072606 0.78 MAOB (0.52) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL7918305 0.77 MAOB (0.42) ERN1MAOBKMT2AMEN1MAPT
SCHEMBL8381118 0.77 MAPT (0.44) ERN1MAOBKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9526769-B2 Macrocylic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2016-12-27 US disclosed
US-8268776-B2 mixture of cytochrome P450 monooxygenase inhibitor and protease inhibitor for anti-hepatitis C viral treatment; including other active drugs as interferon, ribavarin, and adamantine ENANTA PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
EP-2037947-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-07-31 US disclosed
US-20080125444-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-05-29 US disclosed
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
WO-2007143694-A2 MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-13 WO disclosed
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2007-12-06 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 (5 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 ERN1 592/4885MAOB 400/4885KMT2A 2022/4885
US-20080181868-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN ERN1 824/4885MAOB 393/4885KMT2A 2518/4885
US-20070281885-A1 MACROCYLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS HCCS, CPN1, HPN ERN1 824/4885MAOB 393/4885KMT2A 2518/4885
US-20070281884-A1 Macrocyclic oximyl hepatitis C protease inhibitors HCCS, HPN, CYP3A4 ERN1 655/4885MAOB 521/4885KMT2A 2167/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS ERN1 592/4885MAOB 400/4885KMT2A 2022/4885

“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.