SCHEMBL1710595

SCHEMBL1710595

CCCCC(CCC)CS(=O)(=O)c1cccc([C@H](O)CCN)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.33
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL1710593 1.00 KDM4E (0.36) KDM4EALDH1A1CA2CA1CA4
SCHEMBL1710755 1.00 KDM4E (0.36) KDM4EALDH1A1CA2CA1CA4
SCHEMBL1710687 0.95 CA2 (0.36) CA2CA1
SCHEMBL1722204 0.93 CA2 (0.34) KDM4EALDH1A1CA2CA1
SCHEMBL3385934 0.93 ALDH1A1 (0.41) KDM4EALDH1A1CA2
SCHEMBL3385936 0.93 ALDH1A1 (0.41) KDM4EALDH1A1CA2
SCHEMBL1710684 0.93 ALDH1A1 (0.41) KDM4EALDH1A1CA2
SCHEMBL1710645 0.91 CA2 (0.34) KDM4EALDH1A1CA2CA1
SCHEMBL1710643 0.91 CA2 (0.34) KDM4EALDH1A1CA2CA1
SCHEMBL1710491 0.91 CA2 (0.34) KDM4EALDH1A1CA2CA1

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 KDM4E 3778/4885ALDH1A1 314/4885CA2 1943/4885

“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.