SCHEMBL1710448

SCHEMBL1710448

CC(C)(C)OC(=O)NCCC(=O)c1cccc(S(=O)(=O)CC2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.43
CA2 P00918 11/20 0.43
NQO2 P16083 1/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
STAT3 P40763 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
F2 P00734 2/20 0.35
TMPRSS6 Q8IU80 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
PDK2 Q15119 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3388612 0.83 CA1 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL1727476 0.82 CA1 (0.42) CA1CA2NQO2CA12CA9
SCHEMBL1710452 0.82 CA2 (0.45) CA1CA2NQO2CA12CA9
SCHEMBL1710609 0.81 CA2 (0.48) CA1CA2NQO2CA12CA9
SCHEMBL1710702 0.80 CA2 (0.40) CA1CA2NQO2CA12CA9
SCHEMBL1725236 0.78 CA2 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL1725089 0.78 CA2 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL13400240 0.77 ALDH1A1 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL6239081 0.76 CTSS (0.44) CA1CA2NQO2MALT1KDM4E
SCHEMBL3390352 0.75 CA1 (0.41) 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 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 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.