SCHEMBL4950332

SCHEMBL4950332

N[C@@H](Cc1ccc(I)cc1)C(=O)N(CC1CC(Br)=NO1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.47
SLC15A1 P46059 1/20 0.35
ITGB3 P05106 5/20 0.34
ITGA2B P08514 3/20 0.34
LTA4H P09960 1/20 0.33
LAP3 P28838 1/20 0.33
TSHR P16473 1/20 0.32
ITGAV P06756 4/20 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
SLC7A5 Q01650 1/20 0.32
TYR P14679 1/20 0.32
P2RX7 Q99572 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
SCHEMBL4934061 0.94 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BLTA4H
SCHEMBL4934993 0.94 TGM2 (0.49) TGM2SLC15A1ITGB3ITGA2BLTA4H
SCHEMBL9825676 0.92 TGM2 (0.47) TGM2SLC15A1ITGB3ITGA2BLTA4H
SCHEMBL9825692 0.90 TGM2 (0.46) TGM2LTA4HLAP3
SCHEMBL9825838 0.85 TGM2 (0.41) TGM2SLC15A1ITGB3ITGA2BALPI
SCHEMBL9826376 0.84 TGM2 (0.41) TGM2LTA4HALPIPKMPTGS1
SCHEMBL4936405 0.84 TGM2 (0.38) TGM2SLC15A1ITGB3ITGA2BLTA4H
SCHEMBL9825346 0.84 TGM2 (0.38) TGM2SLC15A1ITGB3ITGA2BLTA4H
SCHEMBL9826320 0.84 TGM2 (0.43) TGM2TSHR
SCHEMBL9826313 0.83 TGM2 (0.42) TGM2ITGB3ITGA2BITGAV

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-20080299170-A1 Medical Devices and Coatings Therefor ASTON UNIVERSITY (GB) 2008-12-04 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 16/4885SLC15A1 1960/4885ITGB3 1053/4885

“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.