SCHEMBL6563349

SCHEMBL6563349

CCCS(=O)(=O)NCC(C)(O)c1ccc(C(C)(O)CNS(=O)(=O)CCC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
NR3C2 P08235 1/20 0.35
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
ESR2 Q92731 2/20 0.33
KDM4E B2RXH2 3/20 0.33
GRIA4 P48058 2/20 0.33
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KIF11 P52732 1/20 0.32
NR3C1 P04150 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
SCHEMBL5188497 0.94 CYP2C19 (0.47) CYP2C19HSD17B10ALDH1A1KMT2AESR2
SCHEMBL5188472 0.92 CYP2C19 (0.46) CYP2C19NR3C2ALDH1A1KMT2ACYP3A4
SCHEMBL5185899 0.92 CYP2C19 (0.46) CYP2C19NR3C2HSD17B10ALDH1A1KMT2A
SCHEMBL5186084 0.90 KMT2A (0.45) CYP2C19HSD17B10ALDH1A1KMT2AKDM4E
SCHEMBL5188550 0.87 HSD11B1 (0.45) CYP2C19ALDH1A1KMT2AMEN1GAA
SCHEMBL5187874 0.86 CYP2C19 (0.44) CYP2C19KMT2AKDM4EKIF11MEN1
SCHEMBL5187963 0.86 CYP2C19 (0.41) CYP2C19ALDH1A1GRIA4CYP3A4CYP2C9
SCHEMBL5187319 0.85 KIF11 (0.44) CYP2C19HSD17B10KDM4EGRIA4KIF11
SCHEMBL5187419 0.85 CYP2C19 (0.40) CYP2C19HSD17B10ALDH1A1GRIA4KIF11
SCHEMBL6564976 0.83 CYP2C19 (0.38) CYP2C19HSD17B10ALDH1A1GRIA4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 CYP2C19 2069/4885NR3C2 485/4885HSD17B10 946/4885

“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.