SCHEMBL1710645

SCHEMBL1710645

CCCC(CC)CS(=O)(=O)c1cccc([C@H](O)CCN)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA1 P00915 1/20 0.34
HSD11B1 P28845 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1710643 1.00 CA2 (0.34) CA2CA1HSD11B1KDM4EALDH1A1
SCHEMBL1710491 1.00 CA2 (0.34) CA2CA1HSD11B1KDM4EALDH1A1
SCHEMBL1710687 0.95 CA2 (0.36) CA2CA1HSD11B1
SCHEMBL1710903 0.94 HSD11B1 (0.34) CA2CA1HSD11B1KDM4EALDH1A1
SCHEMBL1710684 0.93 ALDH1A1 (0.41) CA2KDM4EALDH1A1
SCHEMBL3385934 0.93 ALDH1A1 (0.41) CA2KDM4EALDH1A1
SCHEMBL3385936 0.93 ALDH1A1 (0.41) CA2KDM4EALDH1A1
SCHEMBL1710595 0.91 KDM4E (0.36) CA2CA1KDM4EALDH1A1
SCHEMBL1710755 0.91 KDM4E (0.36) CA2CA1KDM4EALDH1A1
SCHEMBL1710593 0.91 KDM4E (0.36) CA2CA1KDM4EALDH1A1

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 4504/4885HSD11B1 1087/4885

“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.