SCHEMBL5880717

SCHEMBL5880717

COc1ccc(CCC2(C3CCCC3)CC(O)=C(Sc3nc4ccccc4[nH]3)C(=O)O2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 3/20 0.38
GCGR P47871 1/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
MYC P01106 1/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
FGFR1 P11362 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KLF5 Q13887 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
SCHEMBL3993797 0.94 POLB (0.35) FOXO1GLATP53NTRK1NTRK2
SCHEMBL3990566 0.93 KMT2A (0.34) FOXO1GCGRGLANTRK1NTRK2
SCHEMBL3985400 0.92 SMN1; SMN2 (0.37) FOXO1POLBTDP1NPC1RAB9A
SCHEMBL3994132 0.92 FOXO1 (0.32) FOXO1GLANTRK1NTRK2POLB
SCHEMBL3991111 0.91 PDE5A (0.35)
SCHEMBL3986220 0.91 TXN (0.38) FOXO1POLBALDH1A1SMN1; SMN2
SCHEMBL3988404 0.91 AURKA (0.33) FOXO1MAPTSMN1; SMN2KMT2A
SCHEMBL3993723 0.90 HTT (0.36) FOXO1GLAPOLBL3MBTL1NPC1
SCHEMBL3988208 0.90 GAA (0.34) FOXO1TDP1ALDH1A1MAPTGAA
SCHEMBL3988984 0.90 POLB (0.38) TP53POLBNPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US 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 (1 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 FOXO1 4555/4885GCGR 3909/4885GLA 2553/4885

“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.