SCHEMBL3988478

SCHEMBL3988478

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc(-c4ccccc4)cs3)C(=O)O2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 5/20 0.34
CPT1A P50416 1/20 0.33
LDHA P00338 1/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL3988136 0.86 TP53 (0.38) TP53TSHRMAPTALDH1A1LMNA
SCHEMBL13939613 0.83 LDHA (0.33) TP53MAPTLDHAHCRTR1HCRTR2
SCHEMBL13939647 0.82 PDE5A (0.31) TP53
SCHEMBL5880970 0.82 PDE4A (0.34) TP53MAPTLDHAALDH1A1LMNA
SCHEMBL3993834 0.82 ALDH1A1 (0.35) MAPTLDHAHCRTR1HCRTR2ALDH1A1
SCHEMBL3988164 0.82 ALDH1A1 (0.34) MAPTLDHAALDH1A1
SCHEMBL5880717 0.81 FOXO1 (0.38) TP53L3MBTL1MAPTALDH1A1MEN1
SCHEMBL3994458 0.81 ALDH1A1 (0.38) TP53L3MBTL1MAPTLDHAALDH1A1
SCHEMBL3987142 0.81 NTRK1 (0.37) TSHRMAPTALDH1A1LMNAMEN1
SCHEMBL3990626 0.80 ALDH1A1 (0.36) TP53LDHAALDH1A1LMNAPOLB

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 7 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-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 TP53 897/4885TSHR 3884/4885MCL1 3417/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 TP53 897/4885TSHR 3884/4885MCL1 3417/4885

“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.