SCHEMBL1725856

SCHEMBL1725856

CC(C)(C)OC(=O)NCCOc1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA12 O43570 5/20 0.51
CA9 Q16790 5/20 0.51
PDK2 Q15119 1/20 0.43
ACACB O00763 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.40
ACACA Q13085 1/20 0.40
F2R P25116 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL1710533 0.86 RAB9A (0.49) ACACBNPC1PKMEPHX2RAB9A
SCHEMBL13400240 0.82 ALDH1A1 (0.43) CA1CA2CA12CA9ACACB
SCHEMBL13400275 0.82 ACACB (0.41) CA1CA2CA12CA9ACACB
SCHEMBL13400241 0.81 CA1 (0.40) CA1CA2CA12CA9ACACB
SCHEMBL1722913 0.80 RORC (0.42) CA1CA2ACACBEPHX1
SCHEMBL1710605 0.79 CA1 (0.38) CA1CA2CA12CA9ACACB
SCHEMBL3388472 0.79 CA1 (0.41) CA1CA2CA12CA9ACACB
SCHEMBL1710644 0.79 CA12 (0.44) CA1CA2CA12CA9PDK2
SCHEMBL30030133 0.79 KAT6A (0.44) CA1CA2CA12CA9ACACB
SCHEMBL3132409 0.78 CA1 (0.48) CA1CA2CA12CA9PDK2

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 CA1 4504/4885CA2 1943/4885CA12 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.