SCHEMBL3988583

SCHEMBL3988583

CC(C)Oc1ccc(CCC(=O)C2CCCC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
CCR5 P51681 1/20 0.40
FFAR4 Q5NUL3 5/20 0.39
FFAR1 O14842 1/20 0.39
P2RX3 P56373 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSD P07339 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3988021 0.85 CSNK2A1 (0.50) S1PR1S1PR3S1PR5CCR5FFAR4
SCHEMBL5881108 0.80 GAA (0.44) CCR5CTSD
SCHEMBL21896091 0.79 S1PR1 (0.47) S1PR1S1PR3S1PR5FFAR4FFAR1
SCHEMBL3988797 0.79 FFAR1 (0.38) S1PR1S1PR5CCR5FFAR4FFAR1
SCHEMBL3987921 0.77 PTGS1 (0.39) CCR5FFAR4FFAR1MEN1KMT2A
SCHEMBL3985175 0.76 PDE4A (0.42) S1PR3MEN1KMT2AL3MBTL1
SCHEMBL3992294 0.75 CCR5 (0.36) CCR5FFAR4FFAR1MEN1KMT2A
SCHEMBL3987889 0.73 OPRD1 (0.50) MEN1KMT2A
SCHEMBL3987891 0.73 KMT2A (0.49) CCR5MEN1KMT2A
SCHEMBL24482568 0.73 THRA (0.45) S1PR1MEN1KMT2A

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-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
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP 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
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (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 S1PR1 246/4885S1PR3 358/4885S1PR5 848/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 S1PR1 246/4885S1PR3 358/4885S1PR5 848/4885

“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.