SCHEMBL1710567

SCHEMBL1710567

N#CCC(O)c1cccc(SCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
MAOA P21397 6/20 0.49
SLC6A4 P31645 1/20 0.38
DAO P14920 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
LMNA P02545 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1710696 0.84 MAOA (0.44) MAOBMAOALMNACYP3A4ALDH1A1
SCHEMBL1710628 0.79 SLC6A4 (0.42) MAOBMAOASLC6A4DAOPPARG
SCHEMBL1710306 0.77 AR (0.42) MAOBMAOALMNACYP3A4
SCHEMBL1710887 0.77 LMNA (0.33) MAOALMNATSHR
SCHEMBL1722194 0.75 LTB4R (0.34) MAOALMNACYP3A4
SCHEMBL1710625 0.75 AR (0.41)
SCHEMBL1546683 0.75 TSHR (0.52) LMNATSHRL3MBTL1
SCHEMBL1546681 0.75 TSHR (0.52) LMNATSHRL3MBTL1
SCHEMBL2349389 0.75 TSHR (0.52) LMNATSHRL3MBTL1
SCHEMBL1722208 0.75 CTSK (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203058-B Sulfur-linked compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-11-12 CN disclosed
CN-102203058-A Sulfur-linked compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2011-09-28 CN disclosed
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 MAOB 2402/4885MAOA 3658/4885SLC6A4 1338/4885

“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.