SCHEMBL6572131

SCHEMBL6572131

CCCS(=O)(=O)NCCc1ccc2cc(O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
TBXAS1 P24557 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
HTT P42858 1/20 0.41
HCAR2 Q8TDS4 4/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL6563319 0.91 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6575649 0.84 ADRA2A (0.46) SMN1; SMN2KDM4EALDH1A1ADRB2ADRB1
SCHEMBL6575368 0.82 PTGS2 (0.61) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6565154 0.81 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6572128 0.80 GRIA4 (0.54) SMN1; SMN2KDM4EHSD17B10TSHRADRB2
SCHEMBL6574100 0.77 HSD17B10 (0.44) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL2046459 0.76 CNR1 (0.53) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6763747 0.76 ALDH1A1 (0.47) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6563391 0.75 MEN1 (0.54) SMN1; SMN2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL6572002 0.75 GRIA4 (0.51) KDM4EHSD17B10TSHRPTGS2

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 SMN1; SMN2 386/4885KDM4E 3086/4885HSD17B10 1260/4885

“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.