SCHEMBL791784

SCHEMBL791784

CC(=O)CCc1ccc(S(=O)(=O)NC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
DHFR P00374 1/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 6/20 0.53
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
EPHX2 P34913 1/20 0.50
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL10285030 0.89 ALDH1A1 (0.68) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL13966984 0.85 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL840440 0.84 ALDH1A1 (0.59) L3MBTL1ALDH1A1LMNANPSR1CA1
SCHEMBL28291995 0.83 TSHR (0.67) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL12700752 0.81 SMN1; SMN2 (0.62) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL2928482 0.79 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL30849591 0.79 ALDH1A1 (0.57) SMN1; SMN2TSHRALDH1A1LMNANPSR1
SCHEMBL8072061 0.79 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1LMNANPSR1CA1
SCHEMBL13648079 0.78 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2DHFRTSHRTDP1
SCHEMBL10912165 0.78 ALDH1A1 (0.77) L3MBTL1SMN1; SMN2TDP1ALDH1A1LMNA

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 2 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

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 L3MBTL1 4435/4885SMN1; SMN2 4306/4885DHFR 171/4885

“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.