SCHEMBL3993797

SCHEMBL3993797

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4cc(Cl)ccc4[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
GLA P06280 1/20 0.35
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
FGFR1 P11362 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
FOXO1 Q12778 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.31
APLNR P35414 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KLF5 Q13887 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31

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
SCHEMBL3990566 0.94 KMT2A (0.34) GLANTRK1NTRK2SMN1; SMN2FOXO1
SCHEMBL5880717 0.94 FOXO1 (0.38) POLBGLANTRK1NTRK2FGFR1
SCHEMBL3994132 0.94 FOXO1 (0.32) POLBGLANTRK1NTRK2FOXO1
SCHEMBL3991111 0.93 PDE5A (0.35) PDE5A
SCHEMBL3990838 0.92 POLB (0.36) POLBSMN1; SMN2ALDH1A1TDP1MAPT
SCHEMBL3993723 0.92 HTT (0.36) POLBGLASMN1; SMN2FOXO1ALDH1A1
SCHEMBL3986220 0.91 TXN (0.38) POLBSMN1; SMN2FOXO1ALDH1A1PDE5A
SCHEMBL3985400 0.91 SMN1; SMN2 (0.37) POLBSMN1; SMN2FOXO1ALDH1A1TDP1
SCHEMBL3988404 0.88 AURKA (0.33) SMN1; SMN2FOXO1MAPTKMT2ACYP3A4
SCHEMBL3988208 0.87 GAA (0.34) SMN1; SMN2FOXO1ALDH1A1TDP1MAPT

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 POLB 159/4885GLA 1936/4885NTRK1 4869/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 POLB 159/4885GLA 1936/4885NTRK1 4869/4885

“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.