SCHEMBL8420534

SCHEMBL8420534

CCC(=O)c1ccc(-c2ccc(F)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.56
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
PTPN1 P18031 1/20 0.52
PDE4B Q07343 3/20 0.51
PDE4D Q08499 1/20 0.51
ERCC5 P28715 4/20 0.49
FEN1 P39748 4/20 0.49
NQO2 P16083 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8864088 0.85 SLC9A1 (0.55) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL11805242 0.83 ERCC5 (0.68) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL13078607 0.82 SLC9A1 (0.59) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL11631702 0.82 ALDH1A1 (0.55) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL27773423 0.82 ERCC5 (0.55) SLC9A1ALDH1A1HPGDERCC5FEN1
Hydrochloric Acid SCHEMBL9734823 0.81 SLC9A1 (0.48) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL3054179 0.80 ALDH1A1 (0.70) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL28180284 0.80 ERCC5 (0.47) ALDH1A1KDM4ELMNAHPGDERCC5
SCHEMBL4946307 0.79 LMNA (0.57) SLC9A1ALDH1A1KDM4ELMNAHPGD
SCHEMBL15218337 0.79 ALDH1A1 (0.69) SLC9A1ALDH1A1KDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 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 (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-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 SLC9A1 1196/4885ALDH1A1 450/4885KDM4E 472/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 SLC9A1 590/4885ALDH1A1 409/4885KDM4E 1334/4885

“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.