SCHEMBL6573628

SCHEMBL6573628

CCCS(=O)(=O)NCC(C)(O)c1ccc(N(CCN)Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.45
NR1H3 Q13133 9/20 0.45
CYP2C19 P33261 1/20 0.41
CNR2 P34972 3/20 0.37
AOC3 Q16853 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL6763729 0.88 NR1H2 (0.43) NR1H2NR1H3CYP2C19CNR2
SCHEMBL6575322 0.85 CYP2C19 (0.40) NR1H2NR1H3CYP2C19CNR2TSHR
SCHEMBL6573622 0.84 CYP2C19 (0.42) NR1H2NR1H3CYP2C19CNR2KMT2A
SCHEMBL6563349 0.77 CYP2C19 (0.51) CYP2C19KMT2A
SCHEMBL6573861 0.75 CYP2C19 (0.47) CYP2C19KMT2A
SCHEMBL5187439 0.74 AR (0.51) CYP2C19KMT2A
SCHEMBL5188472 0.73 CYP2C19 (0.46) CYP2C19CNR2KMT2A
SCHEMBL5187235 0.73 LMNA (0.52) CYP2C19KMT2A
SCHEMBL6763725 0.73 CYP2C19 (0.40) NR1H2NR1H3CYP2C19KMT2A
SCHEMBL5188497 0.72 CYP2C19 (0.47) CYP2C19TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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 (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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 NR1H2 1419/4885NR1H3 1557/4885CYP2C19 857/4885

“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.