SCHEMBL1727162

SCHEMBL1727162

[2H]C(O)(CCN)c1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.32

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 0.88 AGTR2 (0.37) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1710688 0.87 AGTR2 (0.37) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1710690 0.86 AGTR2 (0.33) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1722585 0.84 ALDH1A1 (0.39) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3386705 0.84 ALDH1A1 (0.34) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13400165 0.84 AGTR2 (0.35) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1722594 0.79 ALDH1A1 (0.37) AGTR2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3386749 0.79 AKT1 (0.31)
SCHEMBL3388382 0.79 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3388472 0.78 CA1 (0.41) ALDH1A1SMN1; SMN2

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 314/4885SMN1; SMN2 129/4885

“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.