SCHEMBL1722585

SCHEMBL1722585

CC(CCN)c1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AGTR2 P50052 1/20 0.35
CNR2 P34972 1/20 0.35
AOC2 O75106 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
MITF O75030 1/20 0.33
MAPT P10636 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
SCHEMBL1710530 0.86 AGTR2 (0.37) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL1710688 0.85 AGTR2 (0.37) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL1727162 0.84 AGTR2 (0.35) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL1722594 0.82 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2AGTR2CNR2AOC2
SCHEMBL1710690 0.80 AGTR2 (0.33) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL3386705 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL13400165 0.80 AGTR2 (0.35) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1
SCHEMBL13400275 0.77 ACACB (0.41) ALDH1A1SMN1; SMN2
SCHEMBL1710495 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2AGTR2POLB
SCHEMBL1710497 0.76 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2AGTR2KMT2AMEN1

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 6 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
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US 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
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 314/4885SMN1; SMN2 129/4885AGTR2 3702/4885

“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.