SCHEMBL791338

SCHEMBL791338

COC1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.42
KMT2A Q03164 2/20 0.41
PDE4B Q07343 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CYP2C19 P33261 1/20 0.38
FABP6 P51161 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL17642608 0.88 TP53 (0.47) TSHRALDH1A1MAPK1GAAHSD11B1
SCHEMBL6840236 0.88 TP53 (0.47) TSHRALDH1A1MAPK1GAAHSD11B1
SCHEMBL31535486 0.85 HSD11B1 (0.42) TSHRALDH1A1GAAHSD11B1
SCHEMBL31535411 0.85 HSD11B1 (0.42) TSHRALDH1A1GAAHSD11B1
SCHEMBL17851396 0.83 TSHR (0.44) TSHRALDH1A1MAPK1GAAKMT2A
SCHEMBL19596732 0.83 TSHR (0.44) TSHRALDH1A1MAPK1GAAKMT2A
SCHEMBL15299196 0.79 TP53 (0.39) TSHRPDE4BTP53
SCHEMBL31463669 0.79 GAA (0.48) TSHRALDH1A1MAPK1GAAKMT2A
SCHEMBL22592674 0.78 GAA (0.44) TSHRALDH1A1MAPK1GAAKMT2A
SCHEMBL12322228 0.75 TP53 (0.55) TSHRALDH1A1HSD11B1KMT2AMEN1

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 9 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-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
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-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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 (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 TSHR 4089/4885ALDH1A1 750/4885MAPK1 1154/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 TSHR 4089/4885ALDH1A1 750/4885MAPK1 1154/4885

“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.