SCHEMBL6562902

SCHEMBL6562902

CCCS(=O)(=O)NCC(C)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 6/20 0.53
ALDH1A1 P00352 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PARP1 P09874 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36
GBA1 P04062 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL6555617 0.84 GRIA4 (0.60) GRIA4
SCHEMBL6554399 0.84 GRIA4 (0.60) GRIA4
SCHEMBL7031129 0.84 GRIA4 (0.60) GRIA4
SCHEMBL6759326 0.83 GRIA4 (0.67) GRIA4GBA1SMN1; SMN2
SCHEMBL338392 0.83 GRIA4 (0.67) GRIA4GBA1SMN1; SMN2
SCHEMBL6554408 0.83 GRIA4 (0.67) GRIA4GBA1SMN1; SMN2
SCHEMBL6565123 0.81 GRIA4 (0.68) GRIA4
SCHEMBL6562896 0.81 GRIA4 (0.57) GRIA4CA1CA2PARP1
SCHEMBL6565191 0.80 GRIA4 (0.50) GRIA4ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL6556154 0.79 GRIA4 (0.49) GRIA4ALDH1A1CA1CA2L3MBTL1

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 GRIA4 17/4885ALDH1A1 270/4885CA1 307/4885

“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.