SCHEMBL6575322

SCHEMBL6575322

CCCS(=O)(=O)NCC(C)(O)c1ccc(N(CC#N)Cc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 5/20 0.40
CNR2 P34972 4/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
ESRRG P62508 1/20 0.33
NR1H4 Q96RI1 1/20 0.32

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
SCHEMBL6573628 0.85 NR1H2 (0.45) CYP2C19NR1H2NR1H3CNR2KMT2A
SCHEMBL6575319 0.85 CYP2C19 (0.41) CYP2C19NR1H2NR1H3CNR2KMT2A
SCHEMBL6763729 0.83 NR1H2 (0.43) CYP2C19NR1H2NR1H3CNR2ESRRG
SCHEMBL6563349 0.76 CYP2C19 (0.51) CYP2C19KMT2A
SCHEMBL6573861 0.74 CYP2C19 (0.47) CYP2C19KMT2A
SCHEMBL5187439 0.73 AR (0.51) CYP2C19KMT2A
SCHEMBL5187235 0.72 LMNA (0.52) CYP2C19KMT2A
SCHEMBL5187319 0.72 KIF11 (0.44) CYP2C19RORCTSHR
SCHEMBL5188497 0.71 CYP2C19 (0.47) CYP2C19KMT2ATSHRESRRG
SCHEMBL5185899 0.70 CYP2C19 (0.46) CYP2C19KMT2A

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 CYP2C19 857/4885NR1H2 1419/4885NR1H3 1557/4885

“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.