SCHEMBL13820186

SCHEMBL13820186

NCCCC[C@H](N)C(=O)Nc1ccccc1C#Cc1c(F)c(F)nc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.41
▸ MMP2 P08253 1/20 0.39
▸ LNPEP Q9UIQ6 7/20 0.36
▸ ERAP2 Q6P179 7/20 0.36
▸ ERAP1 Q9NZ08 3/20 0.36
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TERT O14746 4/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL13820103 1.00 LTA4H (0.41) LTA4HMMP2LNPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL13716978 0.99 LTA4H (0.40) LTA4HMMP2LNPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL13716979 0.99 LTA4H (0.40) LTA4HMMP2LNPEPERAP2ERAP1
SCHEMBL13820117 0.93 LTA4H (0.38) LTA4HMMP2LNPEPERAP2ERAP1
Hydrochloric Acid SCHEMBL13717647 0.92 LTA4H (0.37) LTA4HMMP2LNPEPERAP2ERAP1
SCHEMBL13820101 0.88 L3MBTL1 (0.34) L3MBTL1
SCHEMBL13827711 0.81 LTA4H (0.43) LTA4HMMP2LNPEPERAP2ERAP1
SCHEMBL13827493 0.81 LTA4H (0.43) LTA4HMMP2LNPEPERAP2ERAP1
SCHEMBL13820179 0.80 LTA4H (0.44) LTA4HMMP2TERT
SCHEMBL13820111 0.80 LTA4H (0.44) LTA4HMMP2TERT

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 3 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

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 3125/4885MMP2 776/4885LNPEP 35/4885

“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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