SCHEMBL22650231

SCHEMBL22650231

O=S1(=O)C(I)=C(O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
P2RX7 Q99572 1/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CHEK1 O14757 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL10216422 0.75 GPR3 (0.54) GPR3MEN1KMT2AESR1ESR2
SCHEMBL7467947 0.72 GPR3 (0.50) GPR3MEN1KMT2AESR1ESR2
SCHEMBL29481 0.71 GPR3 (1.00) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL29387122 0.71 GPR3 (1.00) GPR3MEN1KMT2ACHEK1L3MBTL1
SCHEMBL11796916 0.68 MEN1 (0.47) GPR3MEN1KMT2AHSD11B1
SCHEMBL11800594 0.68 GPR3 (0.45) GPR3MEN1KMT2ACHEK1HSD11B1
SCHEMBL7473284 0.67 GPR3 (0.44) GPR3MEN1KMT2AESR1ESR2
SCHEMBL7473289 0.67 GPR3 (0.44) GPR3MEN1KMT2AESR1ESR2
SCHEMBL17343657 0.67 GPR3 (0.54) GPR3MEN1KMT2A
SCHEMBL31472931 0.66 GPR3 (0.75) GPR3MEN1KMT2AESR1ESR2

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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT FUJIFILM CORPORATION (JP) 2020-11-12 US 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-20200354576-A1 DYEING COMPOSITION, DYED PRODUCT, AND AZO COLORING AGENT CYP1B1, CYP1A1, NAT1 GPR3 3442/4885MEN1 20/4885KMT2A 1097/4885

“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.