SCHEMBL1710696

SCHEMBL1710696

N#CCC(O)c1cccc(SCCCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
FAAH O00519 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NOS1 P29475 1/20 0.35
LMNA P02545 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM3B Q7LBC6 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
SCHEMBL1710567 0.84 MAOB (0.49) MAOAMAOBCYP3A4LMNAALDH1A1
SCHEMBL1710306 0.83 AR (0.42) MAOAMAOBCYSLTR2CYSLTR1CYP3A4
SCHEMBL1710423 0.81 CYSLTR2 (0.39) MAOAMAOBCYSLTR2CYSLTR1CYP1A2
SCHEMBL1710510 0.76 CYSLTR2 (0.33) CYSLTR2CYSLTR1ALDH1A1
SCHEMBL2150986 0.75 LMNA (0.44) LMNAKDM4AALDH1A1MEN1RAB9A
SCHEMBL1722751 0.75 HDAC1 (0.42) CYSLTR2CYSLTR1FAAHLMNAALDH1A1
SCHEMBL2207644 0.74 FFAR1 (0.43) MAOAMAOBLMNARAB9AKMT2A
SCHEMBL1710764 0.74 MCL1 (0.44) MAOAMAOBCYSLTR2CYSLTR1CYP1A2
SCHEMBL1710887 0.73 LMNA (0.33) MAOAHIF1ALMNARAB9A
SCHEMBL2150569 0.72 L3MBTL1 (0.47) LMNAALDH1A1HDAC1

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 MAOA 3658/4885MAOB 2402/4885CYSLTR2 68/4885

“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.