SCHEMBL14768478

SCHEMBL14768478

CC(=O)C(N)CC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.62
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CDC25B P30305 1/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP9 P14780 1/20 0.44
ABCB1 P08183 1/20 0.44
SLC1A1 P43005 3/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL10140601 1.00 SLC15A1 (0.62) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL1264374 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL32681189 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL589203 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL730848 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL4523936 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL5898461 0.87 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1ALPI
SCHEMBL589202 0.87 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL8249778 0.86 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B
SCHEMBL7470329 0.86 SLC15A1 (0.57) SLC15A1ALDH1A1MAPK1L3MBTL1CDC25B

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-9439986-B2 Tricarbonyl technetium-99m, rhenium-185/187, or rhenium-188 labeled cyclic RGD derivatives and uses thereof BIO IMAGING KOREA CO., LTD. (KR) 2016-09-13 US disclosed
US-20130064766-A1 TRICARBONYL TECHNETIUM-99m OR RHENIUM-188 LABELED CYCLIC RGD DERIVATIVES, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES AS AN ACTIVE INGREDIENT FOR USE IN THE DIAGNOSIS OR TREATMENT OF ANGIOGENESIS-RELATED DISEASES SNU R&DB FOUNDATION (KR) 2013-03-14 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-20130064766-A1 TRICARBONYL TECHNETIUM-99m OR RHENIUM-188 LABELED CYCLIC RGD DERIVATIVES, A PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE DERIVATIVES AS AN ACTIVE INGREDIENT FOR USE IN THE DIAGNOSIS OR TREATMENT OF ANGIOGENESIS-RELATED DISEASES ITGAV, ITGA5, KDR SLC15A1 1976/4885ALDH1A1 4074/4885MAPK1 2911/4885

“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.