SCHEMBL2267013

SCHEMBL2267013

O=S(=O)(Cl)c1cc(Cl)c(O)c(S(=O)(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MEP1B Q16820 2/20 0.41
ACLY P53396 6/20 0.40
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
CA9 Q16790 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CA12 O43570 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL1056064 0.87 HSD17B10 (0.48) CA1CA2MEP1BACLYF2
SCHEMBL23747994 0.81 CA1 (0.35) CA1CA2CA9TDP1CA12
SCHEMBL184213 0.81 CA1 (0.68) CA1CA2ACLYF2PRSS1
SCHEMBL10988183 0.79 CA1 (0.66) CA1CA2ACLYF2PRSS1
SCHEMBL2268180 0.78 CA1 (0.55) CA1CA2CA9TDP1CA12
SCHEMBL29619934 0.78 CA1 (0.55) CA1CA2CA9TDP1CA12
SCHEMBL1019730 0.78 CA1 (0.54) CA1CA2ACLYF2PRSS1
SCHEMBL21954756 0.78 ACLY (0.49) CA1CA2ACLY
SCHEMBL21999634 0.78 ACLY (0.49) CA1CA2ACLYF2PRSS1
SCHEMBL23413882 0.78 CA1 (0.43) CA1CA2MEP1BACLYCA9

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-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
EP-2539333-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-01-02 EP disclosed
WO-2011104266-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-09-01 WO disclosed
US-20110206690-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2011-08-25 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-20110206690-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 CA1 2063/4885CA2 2818/4885MEP1B 266/4885

“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.