SCHEMBL1710679

SCHEMBL1710679

O=Cc1cccc(SCCCC2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SIGMAR1 Q99720 1/20 0.35
HPGD P15428 8/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PTGES O14684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL1710691 0.83 UNG (0.35) ALDH1A1KMT2ADRD2DRD1DRD4
SCHEMBL13400236 0.83 AR (0.41) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1722332 0.81 AR (0.42) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL1710821 0.79 MAOA (0.41) ALDH1A1SIGMAR1CYSLTR2CYSLTR1MEN1
SCHEMBL2199105 0.76 SIGMAR1 (0.43) SIGMAR1GPR84
SCHEMBL1246050 0.75 CA2 (0.41) ALDH1A1HPGD
SCHEMBL1710647 0.75 ALDH1A1 (0.41) ALDH1A1HPGDCYSLTR2CYSLTR1DRD2
SCHEMBL10497865 0.73 THRB (0.40) ALDH1A1HPGD
SCHEMBL11430039 0.73 THRB (0.40) ALDH1A1HPGD
SCHEMBL11431899 0.73 THRB (0.40) ALDH1A1HPGD

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 ALDH1A1 314/4885SIGMAR1 1905/4885HPGD 412/4885

“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.