SCHEMBL6565161

SCHEMBL6565161

CCCS(=O)(=O)NCCC1CCC(CCNS(=O)(=O)CCC)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CNR1 P21554 1/20 0.34
RELA Q04206 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CA1 P00915 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
REN P00797 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
SLC6A9 P48067 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL628815 0.91 CYP1A2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6564732 0.89 RELA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1834640 0.78 CYP1A2 (0.47) RELAREN
SCHEMBL14919709 0.78 EPHX1 (0.38) ALDH1A1RENHPGDCA2NPC1
SCHEMBL8397068 0.78 CYP1A2 (0.35) ALDH1A1RENCA2RAB9ASMN1; SMN2
SCHEMBL1155970 0.75 CA1 (0.57) RELAKDM4EHSD17B10CA1TP53
SCHEMBL8396887 0.74 SIRT2 (0.38) ALDH1A1
SCHEMBL4445149 0.73 EPHX1 (0.35) RENHPGDCA2
SCHEMBL5519897 0.72 CNR1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5689484 0.72 CA1 (0.61) RELACA1ALDH1A1HTTHPGD

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 PSEN1 220/4885PSEN2 244/4885APH1B 1479/4885

“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.