SCHEMBL4934160

SCHEMBL4934160

COc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCCC2CC(Br)=NO2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.65
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
NMBR P28336 1/20 0.42

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
SCHEMBL9825566 0.92 TGM2 (0.77) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825541 0.84 TGM2 (0.64) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825709 0.83 TGM2 (0.84) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4934790 0.82 TGM2 (0.71) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4934255 0.80 TGM2 (0.75) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825687 0.80 TGM2 (0.84) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825778 0.80 TGM2 (0.84) TGM2CTSLCTSBCTSSCTSK
SCHEMBL4934172 0.80 TGM2 (0.83) TGM2CTSLCTSBCTSSCTSK
SCHEMBL9825174 0.80 TGM2 (0.83) TGM2CTSLCTSBCTSSCTSK
SCHEMBL13934076 0.79 TGM2 (1.00) TGM2CTSLCTSBCTSSCTSK

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 1 patent. 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

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 16/4885CTSL 104/4885CTSB 683/4885

“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.