SCHEMBL5880753

SCHEMBL5880753

CCCOc1ccc(CCC2(C3CCCC3)CC(=O)CC(=O)O2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
P2RX3 P56373 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
TP53 P04637 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR2C P28335 2/20 0.30

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
SCHEMBL3989150 0.92 SLC5A2 (0.35) TSHRALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL3987522 0.88 LMNA (0.38) MEN1KMT2AALDH1A1
SCHEMBL5880796 0.88 HTR2A (0.39) P2RX3HTR2A
SCHEMBL3988310 0.88 PDE4B (0.34) HPGDPDE4BHTR2CHTR2BHTR2A
SCHEMBL3988490 0.86
SCHEMBL3988565 0.86 P2RX3 (0.36) S1PR1S1PR3P2RX3TP53
SCHEMBL5880955 0.85 PDE4B (0.33) P2RX3PDE4BPDE4D
SCHEMBL5880768 0.85 PDE4B (0.33) P2RX3PDE4BPDE4D
SCHEMBL3986761 0.84 LMNA (0.41) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL5880939 0.84 ALDH1A1 (0.35) ALDH1A1

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 MEN1 4865/4885KMT2A 3031/4885TSHR 4398/4885

“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.