SCHEMBL5881083

SCHEMBL5881083

CC(=O)C1C(=O)CC(CCc2cccc(Cl)c2)(C2CCCC2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 2/20 0.38
MDM2 Q00987 2/20 0.38
EPHX2 P34913 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
NAAA Q02083 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.34
FSHR P23945 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5880881 0.96 TP53 (0.36) TAAR1GLATP53MDM2EPHX2
SCHEMBL5880877 0.87 TAAR1 (0.39) TAAR1GLATP53MDM2EPHX2
SCHEMBL5880782 0.83 NPC1 (0.38) TAAR1GLAEPHX2NPC1RAB9A
SCHEMBL5880889 0.80 CYP1A2 (0.35) EPHX2NPC1RAB9AHPGDKDM4E
SCHEMBL3986253 0.77 TAAR1 (0.38) TAAR1GLATP53MDM2EPHX2
SCHEMBL5880893 0.74 KMT2A (0.42) HPGDKDM4ETSHRALDH1A1
SCHEMBL5880800 0.74 KMT2A (0.39) TP53HPGDKDM4ETSHRALDH1A1
SCHEMBL5880886 0.71 ALDH1A1 (0.39) EPHX2NPC1RAB9AKDM4EALDH1A1
SCHEMBL5880880 0.69 EPHX1 (0.39) NPC1KDM4EALDH1A1L3MBTL1
SCHEMBL5880771 0.69 GAA (0.36) EPHX2RAB9ATSHRALDH1A1GAA

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 TAAR1 3724/4885GLA 2553/4885TP53 2006/4885

“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.