SCHEMBL13716981

SCHEMBL13716981

O=C(O)NCCCCC(NC(=O)O)C(=O)Nc1cc(C#Cc2c(F)c(F)nc(F)c2F)cc(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 8/20 0.35
▸ SIRT5 Q9NXA8 7/20 0.34
▸ SIRT2 Q8IXJ6 8/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ SIRT3 Q9NTG7 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
SCHEMBL13717245 0.91 SIRT5 (0.41) SIRT1SIRT5SIRT2CA1CA2
SCHEMBL13717184 0.87 SIRT1 (0.35) SIRT1SIRT5SIRT2FOLH1SIRT3
SCHEMBL13827497 0.83 CA1 (0.47) SIRT1SIRT5CA1CA2
SCHEMBL13717154 0.83 SIRT5 (0.33) SIRT1SIRT5SIRT2CA1CA2
SCHEMBL13716996 0.82 SIRT1 (0.45) SIRT1SIRT5SIRT2FOLH1SIRT3
SCHEMBL13717194 0.81 SIRT5 (0.37) SIRT1SIRT5SIRT2FOLH1SIRT3
SCHEMBL13717238 0.76 RAB9A (0.33) —
SCHEMBL13717225 0.74 LTA4H (0.42) —
SCHEMBL13717230 0.72 SIRT5 (0.44) SIRT1SIRT5SIRT2CA1CA2
SCHEMBL16389075 0.72 SIRT5 (0.44) SIRT1SIRT5SIRT2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927728-B2 Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates The Florida State University Research Foundation, Inc. (US) 2015-01-06 — — US disclosed
US-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES The Florida State University Research Foundation, Inc. (US) 2012-11-15 — — 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-20120288940-A1 DIPEPTIDE ACETYLENE CONJUGATES AND A METHOD FOR PHOTOCLEAVAGE OF DOUBLE STRAND DNA BY DIPEPTIDE ACETYLENE CONJUGATES DNPEP, DCLRE1A, PCNA SIRT1 969/4885SIRT5 1981/4885SIRT2 667/4885

“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.

Send feedback