SCHEMBL4976935

SCHEMBL4976935

Nc1ccc(Sc2sc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP47 Q96K76 6/20 0.62
▸ USP7 Q93009 9/20 0.60
▸ PADI4 Q9UM07 1/20 0.60
▸ PDE7A Q13946 6/20 0.48
▸ PDE7B Q9NP56 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ USP10 Q14694 1/20 0.44
▸ DTYMK P23919 1/20 0.41
▸ P2RY14 Q15391 1/20 0.41

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
SCHEMBL1455298 0.89 USP47 (0.65) USP47USP7PADI4MAPTUSP10
SCHEMBL1455594 0.82 USP7 (0.55) USP47USP7PADI4PDE7AMEN1
SCHEMBL27889362 0.79 USP47 (0.57) USP47USP7PADI4USP10P2RY14
SCHEMBL1455158 0.77 USP7 (0.49) USP47USP7PADI4MEN1MAPT
SCHEMBL2680315 0.76 USP7 (0.79) USP47USP7PADI4PDE7AMEN1
SCHEMBL2681880 0.75 USP47 (0.85) USP47USP7PADI4MEN1MAPT
SCHEMBL2681089 0.75 USP7 (0.77) USP47USP7PADI4PDE7AMAPT
SCHEMBL2681075 0.75 USP7 (1.00) USP47USP7PADI4PDE7APDE7B
SCHEMBL2681219 0.75 USP7 (0.79) USP47USP7PADI4
SCHEMBL2680882 0.73 USP7 (0.80) USP47USP7PADI4PDE7AUSP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 USP47 1620/4885USP7 1912/4885PADI4 3547/4885

“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.

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