SCHEMBL5880877

SCHEMBL5880877

O=C(Cc1ccccc1)C1C(=O)CC(CCc2cccc(Cl)c2)(C2CCCC2)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
ATM Q13315 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CTBP2 P56545 1/20 0.34
HSD11B1 P28845 1/20 0.34
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL5880782 0.89 NPC1 (0.38) TAAR1GLAALDH1A1MEN1KMT2A
SCHEMBL5881083 0.87 TAAR1 (0.39) TAAR1GLAALDH1A1HPGDEPHX2
SCHEMBL5880881 0.84 TP53 (0.36) TAAR1GLAEPHX2CHRM2CHRM3
SCHEMBL5880886 0.82 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AEPHX2SIGMAR1
SCHEMBL3986253 0.74 TAAR1 (0.38) TAAR1GLAHPGDEPHX2CHRM2
SCHEMBL13964268 0.73 OPRM1 (0.39)
SCHEMBL5880856 0.73 MAPT (0.38) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL5880771 0.71 GAA (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL5880885 0.69 ALDH1A1 (0.39) ALDH1A1MEN1HPGDKMT2A
SCHEMBL5880680 0.69 KMT2A (0.34) ALDH1A1MEN1HPGDKMT2AEPHX2

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 2553/4885ALDH1A1 729/4885

“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.