SCHEMBL3390909

SCHEMBL3390909

[2H]c1cc(C(O)CCNC(=O)OC(C)(C)C)cc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
ACACB O00763 1/20 0.36
CA1 P00915 11/20 0.35
CA2 P00918 11/20 0.35
CA12 O43570 5/20 0.35
CA9 Q16790 5/20 0.35
CCR2 P41597 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MALT1 Q9UDY8 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
SCHEMBL1710814 0.91 ACACB (0.38) EPHX1ACACBCA1CA2CA12
SCHEMBL13400241 0.91 CA1 (0.40) EPHX1ACACBCA1CA2CA12
SCHEMBL1710803 0.87 EPHX1 (0.39) EPHX1ACACBCA1CA2CA12
SCHEMBL1710454 0.85 EPHX1 (0.39) EPHX1ACACBCA1CA2CA12
SCHEMBL1710846 0.84 EPHX1 (0.38) EPHX1ACACBCA1CA2CA12
SCHEMBL1710605 0.84 CA1 (0.38) EPHX1ACACBCA1CA2CA12
SCHEMBL3388472 0.84 CA1 (0.41) EPHX1ACACBCA1CA2CA12
SCHEMBL3388591 0.83 CA1 (0.39) EPHX1ACACBCA1CA2CA12
SCHEMBL13400275 0.82 ACACB (0.41) EPHX1ACACBCA1CA2CA12
SCHEMBL3385740 0.82 ACACB (0.38) EPHX1ACACBCA1CA2CA12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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 EPHX1 3213/4885ACACB 2089/4885CA1 4504/4885

“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.