SCHEMBL13820179

SCHEMBL13820179

NCCCC[C@H](N)C(=O)Nc1cccc(C#Cc2c(F)c(F)nc(F)c2F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ TERT O14746 3/20 0.39
▸ PTPN11 Q06124 1/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ KDR P35968 2/20 0.35
▸ S1PR1 P21453 3/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ S1PR5 Q9H228 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ GRM5 P41594 1/20 0.34

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
SCHEMBL13820111 1.00 LTA4H (0.44) LTA4HSUV39H2TERTPTPN11MMP2
Hydrochloric Acid SCHEMBL13717543 0.99 LTA4H (0.43) LTA4HSUV39H2TERTPTPN11MMP2
Hydrochloric Acid SCHEMBL13717545 0.99 LTA4H (0.43) LTA4HSUV39H2TERTPTPN11MMP2
SCHEMBL13717228 0.90 LTA4H (0.42) LTA4HSUV39H2TERTMMP2MMP9
SCHEMBL13717225 0.90 LTA4H (0.42) LTA4HSUV39H2TERTMMP2MMP9
SCHEMBL13820105 0.89 PTPN11 (0.40) PTPN11KDRGRM5
SCHEMBL13827482 0.84 LTA4H (0.38) LTA4HSUV39H2TERTMMP2MMP9
SCHEMBL13820171 0.84 LTA4H (0.45) LTA4HSUV39H2TERTMMP2S1PR1
Hydrochloric Acid SCHEMBL13717210 0.83 LTA4H (0.44) LTA4HSUV39H2TERTMMP2S1PR1
Hydrochloric Acid SCHEMBL13717208 0.83 LTA4H (0.44) LTA4HSUV39H2TERTMMP2S1PR1

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 3125/4885SUV39H2 845/4885TERT 1543/4885

“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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