SCHEMBL1710482

SCHEMBL1710482

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(CSc2cccc(C(=O)CCNC(=O)OC(C)(C)C)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.34
KDM4E B2RXH2 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
IDO1 P14902 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP3A4 P08684 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
SCHEMBL3390135 0.85 APEX1 (0.35) SIGMAR1HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL1710349 0.82 EPHX1 (0.39) NQO2CA1CA2MALT1IDO1
SCHEMBL13400276 0.82 EPHX1 (0.41) NQO2CA1CA2MALT1GAA
SCHEMBL3387017 0.81 MALT1 (0.34) NQO2KDM4ECA1CA2POLB
SCHEMBL3390352 0.80 CA1 (0.41) NQO2KDM4ECA1CA2L3MBTL1
SCHEMBL3388594 0.79 APEX1 (0.36) HPGD
SCHEMBL1710895 0.79 ACACB (0.35) NQO2CA1CA2POLBACACB
SCHEMBL1710486 0.78 MALT1 (0.39) NQO2KDM4ECA1CA2L3MBTL1
SCHEMBL1710591 0.77 KMT2A (0.44) NQO2KDM4ECA1CA2POLB
SCHEMBL1710875 0.77 CA1 (0.38) NQO2KDM4ECA1CA2L3MBTL1

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 NQO2 2067/4885KDM4E 3778/4885CA1 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.