SCHEMBL1710306

SCHEMBL1710306

CCCCSc1cccc(C(O)CC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LTB4R Q15722 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.33
MAP1LC3A Q9H492 1/20 0.33
LNPEP Q9UIQ6 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
GALR3 O60755 1/20 0.32
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 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
SCHEMBL11071975 0.87 AR (0.45) ARMAOAMAOBCYP3A4CYP2C9
SCHEMBL1710696 0.83 MAOA (0.44) MAOAMAOBCYP3A4CYP2C9CYP2C19
SCHEMBL1722194 0.82 LTB4R (0.34) MAOALTB4RCYP3A4CYP2C9CYP2C19
SCHEMBL1710887 0.81 LMNA (0.33) MAOALTB4RLMNAHIF1AGALR3
SCHEMBL1722205 0.80
SCHEMBL1710869 0.80 MAOA (0.41) ARMAOAMAOBLTB4RCYP3A4
SCHEMBL3390734 0.80 MAOA (0.41) ARMAOAMAOBLTB4RCYP3A4
SCHEMBL1710510 0.79 CYSLTR2 (0.33) ARCYSLTR2CYSLTR1
SCHEMBL16084811 0.77 ALOX5 (0.46) LTB4RCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1710567 0.77 MAOB (0.49) MAOAMAOBCYP3A4LMNA

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 AR 4092/4885MAOA 3658/4885MAOB 2402/4885

“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.