SCHEMBL3985370

SCHEMBL3985370

CN(c1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL5880960 0.85 PTGS2 (0.35) RAB9ASMN1; SMN2
SCHEMBL13939129 0.84 PARP1 (0.33)
SCHEMBL3988452 0.84 CYP19A1 (0.30)
SCHEMBL5880850 0.84 HTR2A (0.35) LMNASMN1; SMN2
SCHEMBL13963704 0.82 RAB9A (0.33) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL5880733 0.80 RAB9A (0.33) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3986713 0.80 GAA (0.33) RAB9ASMN1; SMN2
SCHEMBL5880732 0.80 RAB9A (0.33) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL13964063 0.80 RAB9A (0.33) RAB9ASMN1; SMN2CYP3A4
SCHEMBL5880848 0.80 GAA (0.34) RAB9ASMN1; SMN2

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 KDM4E 1534/4885NPC1 110/4885GALR3 3144/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KDM4E 1534/4885NPC1 110/4885GALR3 3144/4885

“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.