SCHEMBL1710702

SCHEMBL1710702

CC(C)(C)OC(=O)NCCC(=O)c1cccc(S(=O)(=O)CC2CCC(F)(F)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.40
CA1 P00915 8/20 0.40
ACACB O00763 2/20 0.38
NQO2 P16083 1/20 0.35
ACACA Q13085 1/20 0.35
IL1B P01584 3/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
P2RX7 Q99572 2/20 0.35
RORC P51449 1/20 0.35
IDH1 O75874 1/20 0.34
IDH2 P48735 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 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
SCHEMBL13400240 0.89 ALDH1A1 (0.43) CA2CA1ACACBNQO2ACACA
SCHEMBL3128170 0.81 ACACB (0.40) CA2CA1ACACBACACAIL1B
SCHEMBL1710895 0.81 ACACB (0.35) CA2CA1ACACBNQO2ACACA
SCHEMBL1722782 0.80 PSEN1 (0.39) CA2CA1IL1BCA12CA9
SCHEMBL1710448 0.80 CA1 (0.43) CA2CA1NQO2CA12CA9
SCHEMBL3128178 0.80 USP30 (0.39) CA2CA1ACACBNQO2ACACA
SCHEMBL3388612 0.79 CA1 (0.43) CA2CA1NQO2CA12CA9
SCHEMBL3390352 0.79 CA1 (0.41) CA2CA1ACACBNQO2CA12
SCHEMBL1727476 0.79 CA1 (0.42) CA2CA1NQO2CA12CA9
SCHEMBL1710609 0.77 CA2 (0.48) CA2CA1NQO2CA12CA9

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 4504/4885ACACB 2089/4885

“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.