SCHEMBL4446215

SCHEMBL4446215

CS(=O)(=O)c1cc(C2CCNCC2)ccc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.48
PARP1 P09874 5/20 0.42
PARP2 Q9UGN5 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CDC7 O00311 1/20 0.41
HTR2C P28335 3/20 0.40
HTR6 P50406 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
PLAT P00750 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
Hydrochloric Acid SCHEMBL4435861 0.99 QDPR (0.47) QDPRPARP1PARP2TLR9TLR8
SCHEMBL2112353 0.80 QDPR (0.49) QDPRTLR9TLR8TLR7HTR2C
Hydrochloric Acid SCHEMBL4435866 0.79 QDPR (0.47) QDPRTLR9TLR8TLR7HTR2C
SCHEMBL17786111 0.77 PARP1 (0.38) PARP1PARP2TLR9TLR8TLR7
SCHEMBL30760594 0.77 QDPR (0.49) QDPRPARP1PARP2TLR9TLR8
SCHEMBL3384439 0.74 P2RX7 (0.55) QDPRPARP1PARP2TLR9TLR8
SCHEMBL13544340 0.74 ACMSD (0.56)
SCHEMBL3386014 0.74 QDPR (0.49) QDPRPARP1PARP2TLR9TLR8
SCHEMBL2466003 0.73 CDC7 (0.36) PARP1PARP2TLR9TLR8TLR7
SCHEMBL3542135 0.72 CSF1R (0.52) QDPRPARP1PARP2TLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 QDPR 246/4885PARP1 4206/4885PARP2 4248/4885

“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.