SCHEMBL6575368

SCHEMBL6575368

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.61
KDM4E B2RXH2 2/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.55
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA5A P35218 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
SLC2A1 P11166 1/20 0.51
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50

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 0.90 SMN1; SMN2 (0.53) PTGS2KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6571852 0.84 PTGS2 (0.66) PTGS2KDM4ESMN1; SMN2CA12CA1
SCHEMBL6574100 0.83 HSD17B10 (0.44) PTGS2KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6763747 0.82 ALDH1A1 (0.47) PTGS2KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6572131 0.82 SMN1; SMN2 (0.46) PTGS2KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6763718 0.81 KDM4E (0.46) PTGS2KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL6575364 0.81 PTGS2 (0.57) PTGS2KDM4ESMN1; SMN2CA12CA1
SCHEMBL6565154 0.80 SMN1; SMN2 (0.50) KDM4ETSHRHSD17B10SMN1; SMN2CA12
SCHEMBL6765791 0.78 PPARG (0.59) KDM4EALDH1A1LMNA
SCHEMBL6766142 0.77 LMNA (0.51) KDM4ETSHRHSD17B10SMN1; SMN2CA12

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 959/4885KDM4E 3086/4885TSHR 614/4885

“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.