SCHEMBL3386705

SCHEMBL3386705

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
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
KIF18A Q8NI77 1/20 0.34
AGTR2 P50052 1/20 0.33
BCHE P06276 1/20 0.33
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
SCHEMBL13400165 0.88 AGTR2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1710530 0.88 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1710688 0.87 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1727162 0.84 AGTR2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1710552 0.84 POLB (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL3388382 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ABCHE
SCHEMBL1710690 0.81 AGTR2 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1722585 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1722594 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL3386749 0.79 AKT1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 129/4885MEN1 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.