SCHEMBL13717230

SCHEMBL13717230

CC(NC(=O)OC(C)(C)C)C(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.44
▸ HDAC4 P56524 5/20 0.42
▸ HDAC1 Q13547 5/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ SIRT1 Q96EB6 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ PTPN11 Q06124 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
SCHEMBL16389075 1.00 SIRT5 (0.44) SIRT5HDAC4HDAC1CA1CA2
SCHEMBL16389073 0.94 CA1 (0.44) SIRT5HDAC4HDAC1CA1CA2
SCHEMBL16389150 0.93 SIRT5 (0.43) SIRT5HDAC4HDAC1CA1CA2
SCHEMBL13827497 0.85 CA1 (0.47) SIRT5HDAC4HDAC1CA1CA2
SCHEMBL16389225 0.83 PTPN11 (0.45) HDAC4HDAC1CA1CA2HDAC3
SCHEMBL16389149 0.83 PTPN11 (0.45) HDAC4HDAC1CA1CA2HDAC3
SCHEMBL13820209 0.83 CTSS (0.43) HDAC4HDAC1CA1CA2HDAC3
SCHEMBL13717184 0.78 SIRT1 (0.35) SIRT5HDAC1SIRT1SIRT2
SCHEMBL14378788 0.77 CA1 (0.59) SIRT5HDAC4HDAC1CA1CA2
SCHEMBL13717129 0.76 SPHK1 (0.37) CA1CA2

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 1981/4885HDAC4 1125/4885HDAC1 859/4885

“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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