SCHEMBL6763013

SCHEMBL6763013

CCCS(=O)(=O)NCC(C)c1ccc2cc(OC(N)C([NH])=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.43
PTGS2 P35354 4/20 0.40
AKR1C3 P42330 7/20 0.37
AKR1C2 P52895 7/20 0.37
ABCB11 O95342 1/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
PTGS1 P23219 3/20 0.34
AKR1C1 Q04828 1/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
CYP1A2 P05177 1/20 0.34
SLC22A6 Q4U2R8 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
SCHEMBL6759452 0.82 GRIA4 (0.41) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6762662 0.82 GRIA4 (0.41) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6575871 0.81 ABCB11 (0.54) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6573583 0.79 GRIA4 (0.48) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6759350 0.78 GRIA4 (0.47) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6572002 0.78 GRIA4 (0.51) GRIA4PTGS2ABCB11TSHRKDM4E
SCHEMBL6763719 0.77 ACACB (0.47) GRIA4CA12CA1CA2CA4
SCHEMBL6762651 0.76 GRIA4 (0.47) GRIA4PTGS2AKR1C3AKR1C2ABCB11
SCHEMBL6763754 0.75 CA4 (0.44) GRIA4PTGS2AKR1C3AKR1C2CA12
SCHEMBL6762961 0.75 KDM4E (0.44) GRIA4PTGS2AKR1C3AKR1C2KDM4E

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 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.