SCHEMBL5880815

SCHEMBL5880815

CC(C)Oc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nccs3)C(=O)O2)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.32
CSNK2A1 P68400 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LDHA P00338 4/20 0.31
LDHB P07195 3/20 0.31
CYP11B2 P19099 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
SCHEMBL5881118 0.85 LDHA (0.34) P2RX3CSNK2A1KDM4ELDHALDHB
SCHEMBL5880951 0.83 LDHA (0.36) P2RX3CSNK2A1KDM4ELDHALDHB
SCHEMBL13964131 0.82 HSD17B3 (0.32)
SCHEMBL5880698 0.82 LDHA (0.30) LDHALDHB
SCHEMBL3993693 0.82 CSNK2A1 (0.39) P2RX3CSNK2A1KDM4E
SCHEMBL3986455 0.80 P2RX3 (0.36) P2RX3
SCHEMBL3990838 0.80 POLB (0.36) P2RX3
SCHEMBL3992209 0.80 P2RX3 (0.32) P2RX3
SCHEMBL3988164 0.80 ALDH1A1 (0.34) LDHALDHB
SCHEMBL3986864 0.79 GNRHR (0.36) P2RX3

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 P2RX3 3763/4885CSNK2A1 1399/4885KDM4E 3231/4885

“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.