SCHEMBL5880904

SCHEMBL5880904

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc[nH]n3)C(=O)O2)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.32
LDHA P00338 2/20 0.32
SLK Q9H2G2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LDHB P07195 1/20 0.30
OPRD1 P41143 1/20 0.30
QPCTL Q9NXS2 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
SCHEMBL3988555 0.86 KMT2A (0.33) PDE5ALDHAGAAKMT2ALDHB
SCHEMBL3988514 0.86 QPCTL (0.33) PDE5AQPCTL
SCHEMBL5880784 0.86 LDHA (0.38) LDHAKMT2ALDHBOPRD1
SCHEMBL5880970 0.85 PDE4A (0.34) PDE5ALDHALMNALDHBOPRD1
SCHEMBL3987507 0.83 LDHA (0.40) LDHALDHB
SCHEMBL3990626 0.83 ALDH1A1 (0.36) PDE5ALDHALMNALDHB
SCHEMBL3988195 0.83 NPC1 (0.37) PDE5ALDHAGAALDHB
SCHEMBL5880717 0.83 FOXO1 (0.38) GAAKMT2A
SCHEMBL5880892 0.82 MAPT (0.34) PDE5ALDHAGAAOPRD1
SCHEMBL3992476 0.82 PDE2A (0.34) PDE5A

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 PDE5A 1964/4885LDHA 2373/4885SLK 4128/4885

“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.