SCHEMBL773215

SCHEMBL773215

Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 1/20 0.54
CCR2 P41597 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
PARG Q86W56 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL14675998 0.84 THRB (0.56) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL5035917 0.84 MAPK1 (0.55) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL1625381 0.83 VCAM1 (0.70) ALDH1A1HTTLMNA
SCHEMBL12067854 0.82 VCAM1 (0.69) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL17708450 0.81 CA1 (0.62) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL23092820 0.80 ATM (0.49) ALDH1A1KDM4EMAPK1SMN1; SMN2MAPT
SCHEMBL9568265 0.78 LMNA (0.60) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL9796365 0.78 ALDH1A1 (0.64) ALDH1A1HTTKDM4EMAPK1CCR2
SCHEMBL9735536 0.77 ALDH1A1 (0.70) ALDH1A1HTTKDM4EMAPK1MAPT
SCHEMBL13286192 0.76 MAPT (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885HTT 1606/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885HTT 1606/4885KDM4E 2725/4885

“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.