SCHEMBL6573583

SCHEMBL6573583

CCCS(=O)(=O)NCC(C)c1ccc2cc(OCCN)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.48
PTGS2 P35354 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA4 P22748 3/20 0.38
CA9 Q16790 3/20 0.38
ACACB O00763 2/20 0.37
ABCB11 O95342 1/20 0.36
SLC6A9 P48067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL6759350 0.91 GRIA4 (0.47) GRIA4PTGS2AKR1C3AKR1C2CA12
SCHEMBL6762961 0.86 KDM4E (0.44) GRIA4PTGS2AKR1C3AKR1C2ACACB
SCHEMBL6763807 0.86 ALDH1A1 (0.47) GRIA4PTGS2AKR1C3AKR1C2CA12
SCHEMBL6573578 0.84 GRIA4 (0.50) GRIA4AKR1C3AKR1C2CA12CA1
SCHEMBL6575871 0.84 ABCB11 (0.54) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6763719 0.84 ACACB (0.47) GRIA4CA12CA1CA2CA4
SCHEMBL6766145 0.83 GRIA4 (0.43) GRIA4PTGS2AKR1C3AKR1C2CA12
SCHEMBL6765779 0.83 ALDH1A1 (0.52) GRIA4CA12CA1CA2CA9
SCHEMBL6762651 0.83 GRIA4 (0.47) GRIA4PTGS2AKR1C3AKR1C2ACACB
SCHEMBL6763754 0.82 CA4 (0.44) GRIA4PTGS2AKR1C3AKR1C2CA12

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 GRIA4 9/4885PTGS2 959/4885AKR1C3 2419/4885

“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.