SCHEMBL773446

SCHEMBL773446

CS(=O)(=O)N1CCC(N[C]=O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.37
EPHX2 P34913 3/20 0.37
KDM1A O60341 1/20 0.37
EPHX1 P07099 1/20 0.37
FABP6 P51161 1/20 0.36
JAK2 O60674 4/20 0.35
JAK3 P52333 3/20 0.35
LMNA P02545 1/20 0.35
JAK1 P23458 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL774349 0.89 TP53 (0.46) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL12225575 0.79 TP53 (0.43) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL962299 0.79 TP53 (0.43) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL962569 0.79 TP53 (0.43) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL765729 0.79 TP53 (0.43) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL12820441 0.77 TP53 (0.42) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL21556645 0.77 TP53 (0.42) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL26309055 0.76 TP53 (0.41) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL12404082 0.76 TP53 (0.41) TP53ALDH1A1TSHREPHX2KDM1A
SCHEMBL12404074 0.76 TP53 (0.41) TP53ALDH1A1TSHREPHX2KDM1A

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 8 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-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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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 TP53 559/4885ALDH1A1 750/4885TSHR 4089/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 TP53 1820/4885ALDH1A1 351/4885TSHR 2758/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TP53 559/4885ALDH1A1 750/4885TSHR 4089/4885

“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.