SCHEMBL3988700

SCHEMBL3988700

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cl)C(=O)O2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
RECQL P46063 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.33
SLK Q9H2G2 1/20 0.33
PDE5A O76074 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
SCHEMBL3993693 0.90 CSNK2A1 (0.39) LMNAKMT2AMEN1
SCHEMBL3991206 0.89 OPRD1 (0.36) OPRD1ALDH1A1HPGDLMNATP53
SCHEMBL3989000 0.87 OPRD1 (0.38) OPRD1ALDH1A1KMT2AMEN1KDM1A
SCHEMBL3987706 0.86 EDNRA (0.36) OPRD1ALDH1A1KMT2AMEN1GAA
SCHEMBL5880826 0.86 EDNRA (0.40) ALDH1A1HPGDKMT2AMEN1
SCHEMBL5880784 0.86 LDHA (0.38) OPRD1ALDH1A1KMT2AMEN1KDM1A
SCHEMBL3991037 0.85 TSHR (0.33) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL3989153 0.85 OPRD1 (0.40) OPRD1ALDH1A1KMT2AMEN1MAPT
SCHEMBL5880970 0.85 PDE4A (0.34) OPRD1ALDH1A1HPGDLMNATP53
SCHEMBL3987507 0.84 LDHA (0.40)

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 11 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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 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
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 (3 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 OPRD1 1937/4885ALDH1A1 729/4885HPGD 1963/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 OPRD1 1118/4885ALDH1A1 322/4885HPGD 1904/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 OPRD1 1118/4885ALDH1A1 322/4885HPGD 1904/4885

“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.