SCHEMBL6564976

SCHEMBL6564976

CCCS(=O)(=O)NCC(C)(O)c1ccc(C(C)(O)CNS(=O)(=O)CCC)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
GRIA4 P48058 1/20 0.34
DUT P33316 5/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR3C1 P04150 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL6563349 0.83 CYP2C19 (0.51) CYP2C19GRIA4CYP3A4CYP2C9NR3C1
SCHEMBL6564972 0.81 GRIA4 (0.41) CYP2C19GRIA4HDAC3HDAC1HDAC2
SCHEMBL6565070 0.81 ALDH1A1 (0.36) CYP2C19GRIA4CYP3A4CYP2C9NR3C1
SCHEMBL5187419 0.79 CYP2C19 (0.40) CYP2C19GRIA4NR3C1ALDH1A1HSD17B10
SCHEMBL5188497 0.78 CYP2C19 (0.47) CYP2C19CYP3A4ALDH1A1HSD17B10
SCHEMBL5185899 0.77 CYP2C19 (0.46) CYP2C19ALDH1A1HSD17B10
SCHEMBL5188472 0.77 CYP2C19 (0.46) CYP2C19CYP3A4ALDH1A1
SCHEMBL5186084 0.75 KMT2A (0.45) CYP2C19ALDH1A1HSD17B10
SCHEMBL5186050 0.73 ADAM17 (0.45) CYP2C19
SCHEMBL5188550 0.73 HSD11B1 (0.45) CYP2C19ALDH1A1HDAC3HDAC1HDAC2

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 2069/4885GRIA4 17/4885DUT 4587/4885

“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.