SCHEMBL5880882

SCHEMBL5880882

O=C(Oc1ccccc1)C(S)C1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.38
ECE1 P42892 5/20 0.38
GAA P10253 1/20 0.38
LIPE Q05469 2/20 0.37
FFAR1 O14842 2/20 0.37
PIN1 Q13526 2/20 0.37
IDO1 P14902 1/20 0.36
PDPK1 O15530 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8796201 0.82 ECE1 (0.44) ECE1PIN1
SCHEMBL31072340 0.72 MTNR1A (0.44) ECE1PIN1IDO1PDPK1
SCHEMBL5158911 0.72 MTNR1A (0.44) ECE1PIN1IDO1PDPK1
SCHEMBL12924867 0.70 SLC6A3 (0.51)
SCHEMBL31609333 0.70 IDO1 (0.42) ECE1PIN1IDO1
SCHEMBL30481743 0.70 IDO1 (0.42) ECE1PIN1IDO1
SCHEMBL5965470 0.70 IDO1 (0.42) ECE1PIN1IDO1
SCHEMBL11733442 0.70 PPARG (0.45) PIN1PDPK1
SCHEMBL255287 0.70 IDO1 (0.42) ECE1PIN1IDO1
SCHEMBL15890198 0.70 ALDH1A1 (0.55) PDPK1

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 KCNQ2 4341/4885ECE1 2472/4885GAA 977/4885

“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.