SCHEMBL5880939

SCHEMBL5880939

O=C1CC(=O)OC(CCc2ccc(F)c(F)c2)(C2CCCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
DAO P14920 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
HTT P42858 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30

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
SCHEMBL3985048 0.90 NUDT1 (0.35) ALDH1A1
SCHEMBL3987712 0.90 DAO (0.34) DAOSLC6A2SLC6A4SLC6A3
SCHEMBL3993330 0.89
SCHEMBL3985263 0.88 PTGS1 (0.30)
SCHEMBL4477522 0.88 RXRA (0.33) ALDH1A1
SCHEMBL3985341 0.87 NR3C2 (0.30)
SCHEMBL3993913 0.87 PTGS1 (0.33)
SCHEMBL3987522 0.87 LMNA (0.38) ALDH1A1HTT
SCHEMBL13964063 0.87 RAB9A (0.33) ALDH1A1
SCHEMBL3993794 0.86 CDK2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 US disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 ALDH1A1 729/4885DAO 984/4885SLC6A2 4696/4885

“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.