SCHEMBL13820141

SCHEMBL13820141

NCCCCC(N)C(=O)NC(CCCCN)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.42
▸ PDF Q9HBH1 1/20 0.39
▸ KLKB1 P03952 1/20 0.37
▸ PLG P00747 1/20 0.37
▸ TERT O14746 3/20 0.36
▸ MMP2 P08253 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ ERAP2 Q6P179 2/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.33
▸ MME P08473 1/20 0.33
▸ NMT2 O60551 1/20 0.33
▸ NMT1 P30419 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL13827713 0.91 PDF (0.42) LTA4HPDFKLKB1PLGCALCRL
SCHEMBL13717190 0.91 PDF (0.42) LTA4HPDFKLKB1PLGCALCRL
SCHEMBL13717193 0.91 PDF (0.42) LTA4HPDFKLKB1PLGCALCRL
SCHEMBL13827387 0.90 LTA4H (0.44) LTA4HPLGMMP2CALCRLSSTR3
SCHEMBL13827715 0.90 LNPEP (0.42) LTA4HSSTR3ERAP2LNPEP
SCHEMBL13820171 0.89 LTA4H (0.45) LTA4HTERTMMP2MMP9SPHK1
Hydrochloric Acid SCHEMBL13717208 0.88 LTA4H (0.44) LTA4HTERTMMP2MMP9SPHK1
Hydrochloric Acid SCHEMBL13717210 0.88 LTA4H (0.44) LTA4HTERTMMP2MMP9SPHK1
SCHEMBL13820151 0.88 TERT (0.39) LTA4HPDFKLKB1PLGTERT
SCHEMBL16389212 0.86 LTA4H (0.45) LTA4HTERTMMP2MMP9SPHK1

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 4 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-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
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 LTA4H 3125/4885PDF 562/4885KLKB1 1844/4885

“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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