SCHEMBL1722208

SCHEMBL1722208

[2H]C([2H])(Sc1cccc(C(O)CC#N)c1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.33
BCHE P06276 1/20 0.33
CTSL P07711 1/20 0.33
TSHR P16473 1/20 0.31
AR P10275 2/20 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
SCHEMBL13400235 0.88 AR (0.41) CTSKCTSLAR
SCHEMBL1710625 0.86 AR (0.41) CTSKCTSLAR
SCHEMBL1710510 0.86 CYSLTR2 (0.33) CTSKBCHECTSLAR
SCHEMBL3386964 0.82 BCHE (0.34) BCHE
SCHEMBL1722657 0.81 AR (0.39) CTSKBCHECTSLAR
SCHEMBL1710697 0.80 AR (0.39) CTSKCTSLAR
SCHEMBL1710749 0.79 AR (0.39) CTSKCTSLAR
SCHEMBL2151174 0.76 TSHR (0.38) CTSKBCHECTSLTSHR
SCHEMBL1710567 0.75 MAOB (0.49) TSHR
SCHEMBL1710447 0.73 ALDH1A1 (0.33)

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 CTSK 2722/4885BCHE 2468/4885CTSL 3903/4885

“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.