SCHEMBL703947

SCHEMBL703947

CC(C)(C)OC(=O)N(Cc1csc([N+](=O)[O-])c1)S(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 7/20 0.37
NR1H3 Q13133 1/20 0.36
STAT5B P51692 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL12616508 0.73 NR1D1 (0.32) NR1D1NR1H3
SCHEMBL6126681 0.73 NR1D1 (0.32) NR1D1
SCHEMBL7707821 0.73 AKT1 (0.48) STAT5BALDH1A1SMN1; SMN2
SCHEMBL7705112 0.71 STAT5B (0.46) STAT5BKMT2A
SCHEMBL335791 0.71 HTR2C (0.38) NR1D1STAT5BMAPTMEN1ALDH1A1
SCHEMBL7705341 0.70 TSHR (0.40) STAT5BMAPTSMN1; SMN2
SCHEMBL6338886 0.70 TAS2R14 (0.42) NR1D1NR1H3MAPTMEN1ALDH1A1
SCHEMBL7702197 0.70 RIPK1 (0.43) NR1D1
SCHEMBL7705226 0.68 RIPK1 (0.48)
SCHEMBL7707801 0.68 KMT2A (0.43) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 NR1D1 3256/4885NR1H3 2531/4885STAT5B 304/4885

“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.