SCHEMBL5444173

SCHEMBL5444173

O=C(O)c1ccc2c(c1)c(C1CCCC1)c(-c1ccccc1)n2CC(=O)N1CCS(O)(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
FABP4 P15090 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGER4 P35408 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN2B Q13224 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5444178 0.93 CNR2 (0.40) AKR1B10AKR1A1AKR1B1FABP4HTT
SCHEMBL5433798 0.86 POLB (0.49) HTTNPSR1TSHRPOLBGAA
SCHEMBL2909117 0.81 PRKCA (0.44) FABP4HTTNPSR1PRKCAMMP12
SCHEMBL5439046 0.80 PRKCA (0.44) ALDH1A1PRKCAMMP12MAPTGRIN2B
SCHEMBL5436077 0.79 PRKCA (0.41) FABP4HTTPTGER4ALDH1A1HPGD
SCHEMBL5448433 0.79 POLB (0.49) HTTNPSR1PRKCAMMP12TSHR
SCHEMBL5440965 0.78 FABP4 (0.46) AKR1B10AKR1A1AKR1B1FABP4ALDH1A1
SCHEMBL5198409 0.78 GRIN2B (0.43) ALDH1A1PRKCAMMP12MAPTGRIN2B
SCHEMBL5435089 0.77 HDAC6 (0.42) FABP4PTGER4
Trifluoroacetic Acid SCHEMBL5436676 0.77 PRKCA (0.42) HTTNPSR1PRKCAMMP12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US claimed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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 (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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT AKR1B10 686/4885AKR1A1 112/4885AKR1B1 157/4885

“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.