SCHEMBL1710447

SCHEMBL1710447

N#CCC(O)c1cccc(SCC2(O)CCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30

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
SCHEMBL13400272 0.84 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2MAPK1TDP1SLC6A2
SCHEMBL13432805 0.82 PNMT (0.40) ALDH1A1SMN1; SMN2MAPK1TDP1LMNA
SCHEMBL1710472 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2MAPK1TDP1LMNA
SCHEMBL1722655 0.80 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MAPK1TDP1SLC6A2
SCHEMBL1724735 0.79 L3MBTL1 (0.36) ALDH1A1SMN1; SMN2MAPK1TDP1LMNA
SCHEMBL1710625 0.76 AR (0.41)
SCHEMBL1710722 0.75 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2MAPK1TDP1LMNA
SCHEMBL13400235 0.75 AR (0.41) SMN1; SMN2MAPK1LMNA
SCHEMBL10237228 0.75 MEN1 (0.36) SLC6A2SLC6A4
SCHEMBL2151253 0.75 P2RX7 (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 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 129/4885MAPK1 4602/4885

“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.