SCHEMBL1710607

SCHEMBL1710607

CC(C)(C)OC(=O)[N]CCC(O)c1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
RORC P51449 1/20 0.33
CNR2 P34972 3/20 0.33
TGFBR1 P36897 3/20 0.33
CASR P41180 1/20 0.33
AGTR2 P50052 1/20 0.32
CACNA1B Q00975 1/20 0.32
CNR1 P21554 1/20 0.32
BCHE P06276 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
SCHEMBL1710554 0.85 AGTR2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL13400241 0.83 CA1 (0.40) ALDH1A1SMN1; SMN2OPRD1OPRK1RORC
SCHEMBL3388603 0.81 BCHE (0.35) MEN1KMT2AOPRD1OPRK1CASR
SCHEMBL1710605 0.78 CA1 (0.38) ALDH1A1SMN1; SMN2OPRD1OPRK1BCHE
SCHEMBL1710530 0.77 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1710495 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2OPRD1OPRK1AGTR2
SCHEMBL13400275 0.76 ACACB (0.41) ALDH1A1SMN1; SMN2OPRD1OPRK1RORC
SCHEMBL1710688 0.76 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AAGTR2
SCHEMBL1710814 0.76 ACACB (0.38) RORC
SCHEMBL3388472 0.76 CA1 (0.41) NR1H2NR1H3ALDH1A1SMN1; SMN2OPRD1

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 NR1H2 225/4885NR1H3 422/4885ALDH1A1 314/4885

“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.