SCHEMBL1710508

SCHEMBL1710508

O=Cc1cccc(SCC2(O)CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
UNG P13051 1/20 0.36
MAOA P21397 5/20 0.34
MAOB P27338 5/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL13400273 0.99 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3389340 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3389335 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL1710546 0.77 MAOA (0.44) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL1710445 0.76 MAOA (0.43) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3383732 0.73 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3383726 0.73 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL3387673 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL1725270 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA
SCHEMBL1246027 0.71 UNG (0.42) ALDH1A1SMN1; SMN2TDP1MAPK1LMNA

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 ALDH1A1 314/4885SMN1; SMN2 129/4885TDP1 2438/4885

“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.