SCHEMBL1710993

SCHEMBL1710993

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(CS(=O)(=O)c2cccc(C(O)CCNC(=O)OC(C)(C)C)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.39
CA1 P00915 8/20 0.39
NQO2 P16083 1/20 0.37
RORC P51449 4/20 0.34
CA12 O43570 4/20 0.34
CA9 Q16790 4/20 0.34
MALT1 Q9UDY8 1/20 0.34
ACACB O00763 1/20 0.34
CCR5 P51681 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL13400241 0.83 CA1 (0.40) CA2CA1NQO2RORCCA12
SCHEMBL3390352 0.82 CA1 (0.41) CA2CA1NQO2CA12CA9
SCHEMBL3387017 0.81 MALT1 (0.34) CA2CA1NQO2RORCMALT1
SCHEMBL1710789 0.81 AGTR2 (0.31)
SCHEMBL1710814 0.78 ACACB (0.38) CA2CA1NQO2RORCCA12
SCHEMBL1710605 0.76 CA1 (0.38) CA2CA1NQO2CA12CA9
SCHEMBL3388472 0.76 CA1 (0.41) CA2CA1NQO2RORCCA12
SCHEMBL3390909 0.76 EPHX1 (0.38) CA2CA1CA12CA9MALT1
SCHEMBL13400275 0.74 ACACB (0.41) CA2CA1NQO2RORCCA12
SCHEMBL16079975 0.73 POLB (0.45) CA2CA1NQO2MALT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 CA2 1943/4885CA1 4504/4885NQO2 2067/4885

“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.