SCHEMBL803980

SCHEMBL803980

CS(=O)(=O)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)NCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
NR1I2 O75469 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
MAOB P27338 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
SLC6A9 P48067 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
SCHEMBL12428583 0.89 PRKCA (0.41) SCN9AUSP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL771907 0.89 PRKCA (0.41) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12427666 0.89 SCN9A (0.40) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12427654 0.86 SCN9A (0.34) SCN9AALDH1A1PRKCAMMP12NR1I2
SCHEMBL12428080 0.85 PRKCA (0.41) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12428662 0.83 SCN9A (0.39) SCN9AUSP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL773003 0.83 SCN9A (0.38) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12428587 0.80 PRKCA (0.40) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12428590 0.79 PRKCA (0.42) SCN9AUSP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL771450 0.79 PRKCA (0.40) SCN9AUSP2ALDH1A1LMNATSHR

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 SCN9A 3087/4885USP2 3512/4885ALDH1A1 750/4885

“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.