SCHEMBL3989134

SCHEMBL3989134

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4ccsc4c(=O)[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.40
HTR7 P34969 4/20 0.40
RXFP1 Q9HBX9 2/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CASP3 P42574 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
SCHEMBL3988479 0.90 HTR1A (0.39) HTR1AHTR7RXFP1L3MBTL1TDP1
SCHEMBL3984855 0.88 NPC1 (0.41) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3993991 0.88 LMNA (0.42) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3988500 0.85 MAPK1 (0.34) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL3987826 0.82 PDE5A (0.33) MEN1HPGDKMT2ARAB9AAPLNR
SCHEMBL3987706 0.80 EDNRA (0.36) HTR1AALDH1A1MEN1POLBKMT2A
SCHEMBL13964239 0.78 MAPT (0.38) ALDH1A1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL3992198 0.78 KDM4E (0.39) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3988397 0.78 POLB (0.38) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3987544 0.77 PTGS2 (0.39) ALDH1A1MAPTHTTKMT2ALMNA

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 6 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
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

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 HTR1A 3929/4885HTR7 4728/4885RXFP1 1492/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 HTR1A 3929/4885HTR7 4728/4885RXFP1 1492/4885

“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.