SCHEMBL1710708

SCHEMBL1710708

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(CSc2cccc(Br)c2)C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
CTSK P43235 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MAOB P27338 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1710655 0.78 ALDH1A1 (0.33) MAOAMAOB
SCHEMBL1710438 0.75 HTR6 (0.38) MAOA
SCHEMBL1710511 0.71 CTSK (0.49) MAOACTSKCA1CA2CA4
SCHEMBL6597182 0.70 MAOA (0.49) MAOACTSKCA1CA2CA4
SCHEMBL13400234 0.70 CTSK (0.48) MAOACTSKCA1CA2CA4
SCHEMBL1710383 0.70 CTSK (0.48) MAOACTSKCA1CA2CA4
SCHEMBL19890915 0.69 MAOA (0.44) MAOACTSKCA1CA2CA4
SCHEMBL30753727 0.68 MAOA (0.58) MAOACA1CA2CA4CA7
SCHEMBL17364189 0.65 MAOA (0.55) MAOACA1CA2CA4CA7
SCHEMBL31299577 0.65 MAOA (0.59) MAOACTSKCA1CA2CA4

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 MAOA 3658/4885CTSK 2722/4885CA1 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.