SCHEMBL3920142

SCHEMBL3920142

O=S(=O)(CCCCO)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.46
CA1 P00915 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
FAAH O00519 1/20 0.45
ELANE P08246 1/20 0.45
PRTN3 P24158 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.42
GLA P06280 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL4302784 0.98 CA2 (0.46) CA2CA1MMP1MMP2MMP9
SCHEMBL11309625 0.88 CA2 (0.46) CA2CA1CA5ACA9ALDH1A1
SCHEMBL10482000 0.86 CA1 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL1010105 0.83 CA2 (0.58) CA2MMP1MMP8MMP13
SCHEMBL3929048 0.81 CA2 (0.45) CA2CA1MMP1MMP2MMP9
SCHEMBL6019496 0.81 ALDH1A1 (0.47) CA2CA1MMP1MMP9MMP13
SCHEMBL2734650 0.81 KMT2A (0.46) CA2CA1MMP1MMP2MMP9
SCHEMBL1007571 0.80 MAPT (0.58) CA2ALDH1A1POLBKMT2AMEN1
SCHEMBL15686580 0.80 CA2 (0.65) CA2CA1PRSS1PRSS2PRSS3
SCHEMBL3247748 0.79 CA2 (0.62) CA2CA1MMP1MMP2MMP9

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 4094/4885MMP1 504/4885

“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.