SCHEMBL3929913

SCHEMBL3929913

O=S(=O)(N/N=C/c1ccccc1Cl)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
GAA P10253 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.42
RAB9A P51151 5/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MDM2 Q00987 1/20 0.41
HCRTR1 O43613 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3931139 1.00 F2 (0.51) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6633086 0.84 MEN1 (0.56) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6633083 0.84 MEN1 (0.56) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6634091 0.80 F2 (0.56) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL6634094 0.80 F2 (0.56) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL3920724 0.77 GAA (0.68) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL3922471 0.77 GAA (0.68) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL6635107 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL3924517 0.76 ALDH1A1 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6635104 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023925-A1 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES WYETH (US) 2009-01-22 US claimed
WO-2009006267-A2 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES WYETH (US) 2009-01-08 WO claimed
US-20090023925-A1 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES WYETH (US) 2009-01-22 US disclosed
WO-2009006267-A2 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES WYETH (US) 2009-01-08 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-20090023925-A1 N'-(2-HALOBENZYLIDENE)SULFONYLHYDRAZIDES AS INTERMEDIATES IN THE MANUFACTURE OF ARYLSULFONYLINDAZOLES HTR6, HTR1B, HTR3B F2 4835/4885PRSS1 1283/4885PRSS2 1096/4885

“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.