SCHEMBL6572264

SCHEMBL6572264

CS(=O)(=O)NCCc1ccc2cc(OCC#N)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
SLC2A1 P11166 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA5A P35218 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MTNR1A P48039 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
ALDH2 P05091 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL6573022 0.86 GRIA4 (0.47) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6763704 0.85 ALDH1A1 (0.51) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6571852 0.82 PTGS2 (0.66) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6571967 0.82 PTGS2 (0.45) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6763717 0.81 ALDH1A1 (0.44) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6761044 0.80 ALDH1A1 (0.49) PTGS2ALDH1A1MTNR1AKDM4EDYRK3
SCHEMBL6763745 0.78 GRIA4 (0.48) PTGS2SLC2A1SMN1; SMN2CA12CA1
SCHEMBL6759300 0.78 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MTNR1AHSD17B10NPC1
SCHEMBL6763747 0.78 ALDH1A1 (0.47) PTGS2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL761730 0.77 NQO2 (0.54) SMN1; SMN2CA12CA1CA2POLB

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 PTGS2 959/4885SLC2A1 488/4885SMN1; SMN2 386/4885

“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.