SCHEMBL1710552

SCHEMBL1710552

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
BCHE P06276 7/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
AGTR2 P50052 1/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1710605 0.86 CA1 (0.38) BCHEALDH1A1SMN1; SMN2
SCHEMBL3386705 0.84 ALDH1A1 (0.34) POLBRAB9ABCHEALDH1A1SMN1; SMN2
SCHEMBL13400165 0.79 AGTR2 (0.35) BCHEALDH1A1SMN1; SMN2AGTR2MEN1
SCHEMBL16031752 0.79 SMN1; SMN2 (0.39) POLBRAB9AALDH1A1SMN1; SMN2AGTR2
SCHEMBL16031070 0.79 CNR2 (0.38) POLBALDH1A1SMN1; SMN2AGTR2HSD11B1
SCHEMBL16031069 0.78 AGTR2 (0.36) SMN1; SMN2AGTR2HSD11B1
SCHEMBL1710495 0.78 ALDH1A1 (0.38) POLBRAB9ABCHEALDH1A1SMN1; SMN2
SCHEMBL16030863 0.78 NR1H2 (0.36) POLBRAB9ASMN1; SMN2AGTR2HSD11B1
SCHEMBL13400290 0.78 HDAC6 (0.36) BCHEALDH1A1SMN1; SMN2AGTR2MEN1
SCHEMBL1710885 0.78 BCHE (0.37) BCHEKDM4E

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 POLB 3064/4885RAB9A 2273/4885BCHE 2468/4885

“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.