SCHEMBL6389762

SCHEMBL6389762

O=C(O)c1ccc(NS(=O)(=O)c2ccc(N3CCSCC3)c3nonc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NLRP3 Q96P20 3/20 0.44
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
NR1H2 P55055 1/20 0.42
PKLR P30613 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 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
SCHEMBL5245942 0.89 ALDH1A1 (0.46) GAANLRP3RORARORCNR1H2
SCHEMBL5247129 0.76 RORA (0.64) GAANLRP3RORARORCNR1H2
SCHEMBL5284040 0.74 KMT2A (0.59) GAANLRP3RORARORCNR1H2
SCHEMBL6388989 0.69 GSTP1 (0.48) GAARORARORCNR1H2TDP1
SCHEMBL6395791 0.69 GSTP1 (0.51) GAARORARORCNR1H2TDP1
SCHEMBL5244028 0.69 MYC (0.51) GAAHTTTSHRALDH1A1KMT2A
SCHEMBL6391171 0.66 ALDH1A1 (0.53) GAAPKLRHTTTSHRALDH1A1
SCHEMBL6392848 0.66 ALDH1A1 (0.55) GAAPKLRHTTTSHRALDH1A1
SCHEMBL16141954 0.65 MYC (0.57) GAAHTTTSHRALDH1A1KMT2A
SCHEMBL5284618 0.65 RORA (0.60) GAANLRP3RORARORCNR1H2

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-20050282818-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2005-12-22 US claimed

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-20050282818-A1 Ubiquitin ligase inhibitors NEDD4, TRAF6, XIAP GAA 488/4885NLRP3 1733/4885RORA 2756/4885

“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.