SCHEMBL3929048

SCHEMBL3929048

O=S(=O)(CCCCI)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
FAAH O00519 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
PRSS3 P35030 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 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
SCHEMBL3920142 0.81 CA2 (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL2734650 0.81 KMT2A (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL6019496 0.81 ALDH1A1 (0.47) CA2CA1FAAHPRSS1PRSS2
SCHEMBL15686580 0.80 CA2 (0.65) CA2CA1FAAHPRSS1PRSS2
SCHEMBL6750292 0.79 CA2 (0.52) CA2CA1FAAHPRSS1PRSS2
SCHEMBL2734251 0.79 CA2 (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL2734668 0.79 CA2 (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL4302784 0.79 CA2 (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL2733253 0.79 CA2 (0.46) CA2CA1FAAHPRSS1PRSS2
SCHEMBL8778866 0.79 MMP1 (0.47) CA2CA1FAAHPRSS1PRSS2

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-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC CA2 1736/4885CA1 4094/4885FAAH 2990/4885

“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.