SCHEMBL4656570

SCHEMBL4656570

N[C@@H](Cc1ccc(O)cc1C(=O)N(CC1CC(Cl)=NO1)C(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 2/20 0.34
KMT2A Q03164 2/20 0.33
TYR P14679 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
GRIA2 P42262 1/20 0.33
ITGAV P06756 3/20 0.32
SLC7A5 Q01650 2/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4933034 0.91 TGM2 (0.44) TGM2ITGB3ITGA2BKMT2ATYR
SCHEMBL9825852 0.89 ITGB3 (0.35) TGM2ITGB3ITGA2BKMT2ATYR
SCHEMBL4929784 0.88 SLC7A5 (0.40) TGM2ITGB3ITGA2BTYRGRIA2
SCHEMBL9825261 0.87 ITGB3 (0.34) TGM2ITGB3ITGA2BKMT2ATYR
SCHEMBL9826282 0.81 TGM2 (0.43) TGM2ITGB3ITGA2BTYRSLC7A5
SCHEMBL4936405 0.81 TGM2 (0.38) TGM2ITGB3ITGA2BTYRLTA4H
SCHEMBL9825346 0.81 TGM2 (0.38) TGM2ITGB3ITGA2BTYRLTA4H
SCHEMBL4934179 0.78 TGM2 (0.45) TGM2TYRGRIA2SLC7A5ALPI
SCHEMBL9826251 0.77 L3MBTL1 (0.37) TGM2ITGB3ITGA2BKMT2AMEN1
SCHEMBL9825827 0.76 SLC7A5 (0.39) TGM2ITGB3ITGA2BGRIA2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
US-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 US disclosed
EP-1907027-A2 MEDICAL DEVICES AND COATINGS THEREFOR Aston University (GB) 2008-04-09 EP disclosed
WO-2007010201-A2 MEDICAL DEVICES AND COATINGS THEREFOR ASTON UNIVERSITY (GB) 2007-01-25 WO disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 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 (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-20080299170-A1 Medical Devices and Coatings Therefor F8, HABP2, TFPI TGM2 16/4885ITGB3 1053/4885ITGA2B 392/4885

“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.