SCHEMBL13827387

SCHEMBL13827387

NCCCCC(NC(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ SSTR3 P32745 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ OPRK1 P41145 2/20 0.40
▸ PLG P00747 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ CTSC P53634 1/20 0.37

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
SCHEMBL13827715 0.92 LNPEP (0.42) LTA4HSSTR3ERAP2LNPEP
SCHEMBL13820141 0.90 LTA4H (0.42) LTA4HSSTR3ERAP2LNPEPCALCRL
SCHEMBL13827713 0.86 PDF (0.42) LTA4HSSTR3ERAP2LNPEPCALCRL
SCHEMBL13717193 0.86 PDF (0.42) LTA4HSSTR3ERAP2LNPEPCALCRL
SCHEMBL13717190 0.86 PDF (0.42) LTA4HSSTR3ERAP2LNPEPCALCRL
SCHEMBL13820159 0.83 LTA4H (0.43) LTA4HMMP2
SCHEMBL13820140 0.80 RAB9A (0.33) —
SCHEMBL13820171 0.80 LTA4H (0.45) LTA4HMMP2
SCHEMBL13820151 0.79 TERT (0.39) LTA4HERAP2LNPEPCALCRLMMP2
SCHEMBL14140557 0.79 LTA4H (0.52) LTA4HSSTR3ERAP2LNPEPCALCRL

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 LTA4H 3125/4885SSTR3 3615/4885ERAP2 616/4885

“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