SCHEMBL3390352

SCHEMBL3390352

[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 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
NQO2 P16083 1/20 0.38
CA12 O43570 5/20 0.35
CA9 Q16790 5/20 0.35
ACACB O00763 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 2/20 0.33
STAT3 P40763 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL13400240 0.82 ALDH1A1 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL1710993 0.82 CA2 (0.39) CA1CA2NQO2CA12CA9
SCHEMBL1710482 0.80 NQO2 (0.34) CA1CA2NQO2ACACBALDH1A1
SCHEMBL1710826 0.80 HSD11B1 (0.36) CA1CA2CA12CA9ALDH1A1
SCHEMBL1710702 0.79 CA2 (0.40) CA1CA2NQO2CA12CA9
SCHEMBL1710609 0.77 CA2 (0.48) CA1CA2NQO2CA12CA9
SCHEMBL1710452 0.77 CA2 (0.45) CA1CA2NQO2CA12CA9
SCHEMBL3388612 0.76 CA1 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL1727476 0.76 CA1 (0.42) CA1CA2NQO2CA12CA9
SCHEMBL1710448 0.75 CA1 (0.43) CA1CA2NQO2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 CA1 4504/4885CA2 1943/4885NQO2 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.