SCHEMBL3987933

SCHEMBL3987933

O=C(CCc1ccc(O)c(Cl)c1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.47
CCR5 P51681 1/20 0.47
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.42
ALPG P10696 1/20 0.41
CA1 P00915 5/20 0.40
HSD17B2 P37059 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
IAPP P10997 2/20 0.39
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
PYGL P06737 1/20 0.38
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL5880935 0.88 PYGL (0.49) SIGMAR1PYGL
SCHEMBL3987652 0.82 CCR5 (0.38) CCR5KMT2APYGL
SCHEMBL3987889 0.81 OPRD1 (0.50) KMT2A
SCHEMBL1581377 0.80 ADRA1D (0.40) CCR5KMT2ASIGMAR1
SCHEMBL5880817 0.78 ALDH1A1 (0.48) CA2CCR5KMT2ACYP19A1HDAC8
SCHEMBL3988021 0.78 CSNK2A1 (0.50) CCR5KMT2A
SCHEMBL3988482 0.78 HPGD (0.48) KMT2A
SCHEMBL3985175 0.78 PDE4A (0.42) KMT2A
SCHEMBL5880787 0.78 EPHX2 (0.52) KMT2A
SCHEMBL31410100 0.76 CA2 (0.68) CA2CYP19A1CA1HSD17B2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (2 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-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 CA2 3508/4885CCR5 880/4885ERCC1 3497/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 CA2 3508/4885CCR5 880/4885ERCC1 3497/4885

“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.