SCHEMBL13717245

SCHEMBL13717245

O=C(O)NCCCCC(NC(=O)O)C(=O)Nc1cccc(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 5/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SIRT1 Q96EB6 8/20 0.38
▸ SIRT2 Q8IXJ6 8/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC4 P56524 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC3 O15379 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ SIRT3 Q9NTG7 1/20 0.36

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
SCHEMBL13716981 0.91 SIRT1 (0.35) SIRT5CA1CA2SIRT1SIRT2
SCHEMBL13717184 0.86 SIRT1 (0.35) SIRT5SIRT1SIRT2HDAC1SIRT3
SCHEMBL13717154 0.83 SIRT5 (0.33) SIRT5CA1CA2SIRT1SIRT2
SCHEMBL13717194 0.81 SIRT5 (0.37) SIRT5SIRT1SIRT2HDAC4HDAC1
SCHEMBL13716996 0.79 SIRT1 (0.45) SIRT5SIRT1SIRT2SIRT3
SCHEMBL13820111 0.76 LTA4H (0.44) —
SCHEMBL13820179 0.76 LTA4H (0.44) —
SCHEMBL13820104 0.76 GRM5 (0.38) SMN1; SMN2
SCHEMBL13717238 0.76 RAB9A (0.33) SMN1; SMN2
Hydrochloric Acid SCHEMBL13717545 0.76 LTA4H (0.43) —

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 SIRT5 1981/4885CA1 572/4885CA2 1465/4885

“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.

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