SCHEMBL2255754

SCHEMBL2255754

CCN(CC)CC.O=C(O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.45
GGH Q92820 1/20 0.45
GAA P10253 1/20 0.44
ADAMTS4 O75173 2/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
FOLH1 Q04609 5/20 0.40
RIMKLA Q8IXN7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL4627986 0.91 NAALAD2 (0.51) NAALAD2GGHGAAADAMTS4MMP9
SCHEMBL4627982 0.91 NAALAD2 (0.51) NAALAD2GGHGAAADAMTS4MMP9
SCHEMBL13726857 0.91 NAALAD2 (0.51) NAALAD2GGHGAAADAMTS4MMP9
SCHEMBL30278728 0.84 LMNA (0.40) LMNAHSD17B10CHRM2CHRM4CHRM1
SCHEMBL29964734 0.83 KIF11 (0.50) NAALAD2GGHADAMTS4MMP9ADAMTS5
SCHEMBL7168982 0.82 MME (0.45) LMNA
SCHEMBL7157827 0.80 MMP2 (0.53) NAALAD2GGHGAAMMP9MMP8
SCHEMBL28288740 0.80 ADAMTS4 (0.43) NAALAD2GGHGAAADAMTS4ADAMTS5
SCHEMBL5495801 0.80 KMT2A (0.52) NAALAD2GGHGAAMMP9MMP8
SCHEMBL3607588 0.80 MME (0.47) HSD17B10CA2

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
US-8193156-B1 Dipeptides incorporating selenoamino acids with enhanced bioavailability—synthesis, pharmaceutical and cosmeceutical applications thereof SAMI LABS LTD 2012-06-05 US disclosed
US-8003614-B2 Dipeptides incorporating selenoamino acids with enhanced bioavailability—synthesis, pharmaceutical and cosmeceutical applications thereof SAMI LABS LTD (US) 2011-08-23 US disclosed
US-20080026017-A1 Novel Dipeptides incorporating selenoamino acids with enhanced bioavailability- Synthesis, pharmaceutical and cosmeceutical applications thereof SAMI LABS LIMITED (IN) 2008-01-31 US 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-20080026017-A1 Novel Dipeptides incorporating selenoamino acids with enhanced bioavailability- Synthesis, pharmaceutical and cosmeceutical applications thereof SCLY, CYP2R1, SPR NAALAD2 785/4885GGH 94/4885GAA 3682/4885

“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.