SCHEMBL4934162

SCHEMBL4934162

COc1cc(C[C@H](N)C(=O)N(CCC2CC(Br)=NO2)C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.42
MARS1 P56192 2/20 0.38
IARS1 P41252 2/20 0.37
MIF P14174 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36

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
SCHEMBL9826320 0.92 TGM2 (0.43) TGM2MARS1IARS1MIFTRPV1
SCHEMBL4934794 0.82 TGM2 (0.40) TGM2TSHR
SCHEMBL9825692 0.80 TGM2 (0.46) TGM2MIF
SCHEMBL4934061 0.79 TGM2 (0.49) TGM2
SCHEMBL4934993 0.79 TGM2 (0.49) TGM2
SCHEMBL9825676 0.79 TGM2 (0.47) TGM2TSHR
SCHEMBL4934179 0.78 TGM2 (0.45) TGM2
SCHEMBL4950332 0.76 TGM2 (0.47) TGM2TSHR
SCHEMBL4934160 0.75 TGM2 (0.65) TGM2
SCHEMBL9825566 0.73 TGM2 (0.77) TGM2

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 16/4885MARS1 1682/4885IARS1 2304/4885

“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.