SCHEMBL16494692

SCHEMBL16494692

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.53
SIRT1 Q96EB6 2/20 0.53
SIRT3 Q9NTG7 2/20 0.53
PRSS1 P07477 4/20 0.52
PRSS2 P07478 4/20 0.52
PRSS3 P35030 4/20 0.52
TPSAB1 Q15661 4/20 0.52
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
TLR2 O60603 2/20 0.52
DPP4 P27487 2/20 0.51
ECE1 P42892 1/20 0.50
CPB1 P15086 1/20 0.50
CPB2 Q96IY4 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
DPP8 Q6V1X1 1/20 0.49
CTSK P43235 1/20 0.48

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
SCHEMBL16494690 1.00 SIRT2 (0.53) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL6198706 0.90 SIRT2 (0.60) SIRT2SIRT1SIRT3TLR2CPB1
Trifluoroacetic Acid SCHEMBL6199887 0.87 SIRT2 (0.57) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL7728708 0.86 CTSL (0.55) CTSLCTSSCTSK
SCHEMBL17737201 0.86 ITGB3 (0.58) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL1840309 0.86 SIRT2 (0.61) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL1840311 0.86 SIRT2 (0.61) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL6477219 0.86 SIRT2 (0.61) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL9086439 0.86 ITGB3 (0.60) SIRT2SIRT1SIRT3PRSS1PRSS2
SCHEMBL5692870 0.86 ITGB3 (0.60) SIRT2SIRT1SIRT3PRSS1PRSS2

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
EP-2397488-B1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS FEDERAL STATE BUDGETARY INSTITUTION RES ZAKUSOV INSTITUTE OF PHARMACOLOGY (RU) 2019-03-27 EP disclosed
US-9683014-B2 Dipeptide mimetics of NGF and BDNF neurotrophins UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2017-06-20 US disclosed
US-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII (RU) 2015-04-23 US disclosed
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS UCHREZHDENIE ROSSIISKOI AKADEMII MEDITSYNSKIKH NAUK NAUCHNO-ISSLEDOVATELSKY INSTITUT FARMAKOLOGII IMENI V.V.ZAKUSOVA RAMN (RU) 2011-12-22 US disclosed
EP-2397488-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS Uchrezhdenie Rossiiskoi Akademii Meditsynskikh Nauk Nauchno-issledovatelsky Institut Farmakologii Imeni V.V.Zakusova Ramn (RU) 2011-12-21 EP 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 (2 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-20150111828-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF SIRT2 942/4885SIRT1 816/4885SIRT3 618/4885
US-20110312895-A1 DIPEPTIDE MIMETICS OF NGF AND BDNF NEUROTROPHINS BDNF, NTRK2, NGF SIRT2 942/4885SIRT1 816/4885SIRT3 618/4885

“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.