SCHEMBL13820164

SCHEMBL13820164

NCCCC[C@H](N)C(=O)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.70
MMP2 P08253 2/20 0.58
GSR P00390 1/20 0.50
MMP9 P14780 1/20 0.49
TERT O14746 3/20 0.49
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
SPHK1 Q9NYA1 1/20 0.48
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.46
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45

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
Hydrochloric Acid SCHEMBL14230868 0.98 LTA4H (0.68) LTA4HMMP2GSRMMP9TERT
SCHEMBL25384893 0.89 LTA4H (0.57) LTA4HMMP2SPHK1HDAC2POLB
SCHEMBL8075119 0.87 LTA4H (0.57) LTA4HMMP2MMP9TERTHDAC2
SCHEMBL18428521 0.86 LTA4H (0.62) LTA4HMMP2GSRMMP9TERT
SCHEMBL16338950 0.86 HDAC2 (0.55) LTA4HSPHK1HDAC2
SCHEMBL26464130 0.84 LTA4H (0.60) LTA4HMMP2MMP9TERTSPHK1
SCHEMBL15432241 0.84 LTA4H (0.56) LTA4HMMP2GSRMMP9TERT
SCHEMBL16339086 0.84 HDAC2 (0.56) LTA4HSPHK1HDAC2
SCHEMBL11669294 0.84 SPHK1 (0.66) SPHK1HDAC2
SCHEMBL14812697 0.84 HDAC2 (0.56) LTA4HSPHK1HDAC2

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 3125/4885MMP2 776/4885GSR 1977/4885

“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.