SCHEMBL6763729

SCHEMBL6763729

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
NR1H3 Q13133 6/20 0.43
CYP2C19 P33261 1/20 0.40
NR3C1 P04150 7/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
ESRRG P62508 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
SCHEMBL6573628 0.88 NR1H2 (0.45) NR1H2NR1H3CYP2C19CNR2
SCHEMBL6763725 0.85 CYP2C19 (0.40) NR1H2NR1H3CYP2C19NR3C1POLB
SCHEMBL6575322 0.83 CYP2C19 (0.40) NR1H2NR1H3CYP2C19CNR2ESRRG
SCHEMBL6575826 0.77 ESRRG (0.45) CNR2ESRRG
SCHEMBL6563349 0.75 CYP2C19 (0.51) CYP2C19NR3C1NR3C2
SCHEMBL5186092 0.75 GRIA4 (0.42) CYP2C19POLB
SCHEMBL6573861 0.73 CYP2C19 (0.47) CYP2C19NR3C2
SCHEMBL6573622 0.73 CYP2C19 (0.42) NR1H2NR1H3CYP2C19NR3C1CNR2
SCHEMBL5187439 0.73 AR (0.51) CYP2C19AR
SCHEMBL6762192 0.72 GRIA4 (0.40) NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 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-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.