SCHEMBL3679599

SCHEMBL3679599

O=Cc1ccccc1-c1cccc(F)c1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.50
NFE2L2 Q16236 3/20 0.47
KCNN4 O15554 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
NPC1 O15118 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
IKBKB O14920 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL547759 0.84 KMT2A (0.52) ERN1KCNN4MEN1LMNATHRB
SCHEMBL2478500 0.84 MEN1 (0.52) ERN1NFE2L2KCNN4MEN1LMNA
SCHEMBL652253 0.81 ERN1 (0.59) ERN1NFE2L2MEN1LMNATHRB
SCHEMBL27567381 0.79 ERN1 (0.48) ERN1NFE2L2KCNN4MEN1LMNA
SCHEMBL249552 0.78 KMT2A (0.71) ERN1KCNN4MEN1LMNATHRB
SCHEMBL31175932 0.78 KMT2A (0.71) ERN1KCNN4MEN1LMNATHRB
SCHEMBL28216006 0.77 MEN1 (0.44) ERN1KCNN4MEN1LMNATHRB
SCHEMBL548691 0.77 KMT2A (0.52) ERN1MEN1LMNATHRBBLM
SCHEMBL28336820 0.77 NFKB1 (0.45) MEN1LMNATHRBBLMKMT2A
SCHEMBL2553163 0.77 ERN1 (0.50) ERN1KCNN4MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728148-B2 Acyclic oximyl hepatitis C protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-06-01 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
WO-2007146695-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2007-12-21 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 (2 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 592/4885NFE2L2 748/4885KCNN4 3453/4885
US-20080187516-A1 ACYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS CPN1, HPN, HCCS ERN1 592/4885NFE2L2 748/4885KCNN4 3453/4885

“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.