SCHEMBL7329157

SCHEMBL7329157

O=C(NCC(NC(=O)OCc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.58
CTSS P25774 3/20 0.57
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
ITGB3 P05106 3/20 0.55
ITGAV P06756 3/20 0.55
CASP1 P29466 1/20 0.55
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TACR1 P25103 2/20 0.54
SYK P43405 1/20 0.54
FOLH1 Q04609 1/20 0.54
CTRB1 P17538 2/20 0.54
ITGA2B P08514 1/20 0.53

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
SCHEMBL1191975 1.00 CTSK (0.58) CTSKCTSSCTSLCTSBITGB3
SCHEMBL7370216 0.93 CTSK (0.57) CTSKCTSSCTSLCTSBITGB3
SCHEMBL7370220 0.93 CTSK (0.57) CTSKCTSSCTSLCTSBITGB3
SCHEMBL6560900 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL6560892 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL14844847 0.90 ITGB3 (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL10561905 0.90 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL20364117 0.90 LMNA (0.51) CTSKCTSSCTSLCTSBLMNA
SCHEMBL13139885 0.90 LMNA (0.51) CTSKCTSSCTSLCTSBITGB3
SCHEMBL23574400 0.89 CTSK (0.54) CTSKCTSSCTSLCTSBITGB3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2024-02-29 US disclosed
WO-2021256546-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS 味の素株式会社 2021-12-23 WO disclosed
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-12-31 US disclosed
US-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2020-02-27 US disclosed
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof LUMIPHORE, INC. (US) 2019-03-26 US disclosed
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 US disclosed
WO-2018045385-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2018-03-08 WO disclosed
WO-2007027742-A2 SMALL MOLECULE INTEGRIN α2βl/GPIa-IIa ANTAGONISTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-03-08 WO disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP 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 (5 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-20200062757-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CTSK 1072/4885CTSS 865/4885CTSL 156/4885
US-20240067650-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CTSK 1072/4885CTSS 865/4885CTSL 156/4885
US-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CTSK 1072/4885CTSS 865/4885CTSL 156/4885
US-10239878-B2 Macrocyclic ligands with pendant chelating moieties and complexes thereof TFRC, CLTC, SLC39A3 CTSK 1072/4885CTSS 865/4885CTSL 156/4885
US-20200405887-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 CTSK 1072/4885CTSS 865/4885CTSL 156/4885

“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.