SCHEMBL1710690

SCHEMBL1710690

[2H]c1ccc(S(=O)(=O)CC2CCCCC2)cc1C(O)CCN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31

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 0.91 AGTR2 (0.37) AGTR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13400220 0.89 ALDH1A1 (0.35) AGTR2ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL1710688 0.89 AGTR2 (0.37) AGTR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3386749 0.88 AKT1 (0.31) AKT1PIK3CA
SCHEMBL1727162 0.86 AGTR2 (0.35) AGTR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13400165 0.84 AGTR2 (0.35) AGTR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3385696 0.82 AKT1 (0.34) SMN1; SMN2AKT1PIK3CA
SCHEMBL3386705 0.81 ALDH1A1 (0.34) AGTR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3388382 0.81 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1710622 0.81 AKT1 (0.34) MEN1KMT2ASMN1; SMN2AKT1PIK3CA

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 4 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
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 AGTR2 3702/4885ALDH1A1 314/4885MEN1 4678/4885

“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.