SCHEMBL1710609

SCHEMBL1710609

CCCCS(=O)(=O)c1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.48
CA1 P00915 10/20 0.48
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
NQO2 P16083 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
HSD11B1 P28845 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
STAT3 P40763 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1725089 0.85 CA2 (0.43) CA2CA1CA12CA9NQO2
SCHEMBL1725236 0.85 CA2 (0.43) CA2CA1CA12CA9NQO2
SCHEMBL1710452 0.84 CA2 (0.45) CA2CA1CA12CA9NQO2
SCHEMBL3133160 0.83 CA1 (0.46) CA2CA1CA12CA9NQO2
SCHEMBL1710448 0.81 CA1 (0.43) CA2CA1CA12CA9NQO2
SCHEMBL21963793 0.80 CA1 (0.47) CA2CA1CA12CA9NQO2
SCHEMBL31235342 0.80 CA1 (0.47) CA2CA1CA12CA9NQO2
SCHEMBL3388612 0.80 CA1 (0.43) CA2CA1CA12CA9NQO2
SCHEMBL13400240 0.80 ALDH1A1 (0.43) CA2CA1CA12CA9NQO2
SCHEMBL17737797 0.79 THRB (0.54) CA2CA1CA12CA9THRA

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 4504/4885CA12 2817/4885

“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.