SCHEMBL2861817

SCHEMBL2861817

O=C(N[C@@H](CCCc1ccc([N+](=O)[O-])cn1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.55
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
ITGB3 P05106 1/20 0.50
ITGAV P06756 1/20 0.50
CTSL P07711 11/20 0.49
CTSB P07858 5/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL2861823 1.00 TGM2 (0.55) TGM2HDAC1HDAC2ITGB3ITGAV
SCHEMBL6987072 0.95 TGM2 (0.52) TGM2HDAC1HDAC2ITGB3ITGAV
SCHEMBL6544456 0.95 TGM2 (0.52) TGM2HDAC1HDAC2ITGB3ITGAV
SCHEMBL2867696 0.82 PPARA (0.51) TGM2HDAC1ITGB3ITGAV
SCHEMBL2867690 0.82 PPARA (0.51) TGM2HDAC1ITGB3ITGAV
SCHEMBL29027530 0.79 TGM2 (0.62) TGM2HDAC1HDAC2ITGB3ITGAV
SCHEMBL29027528 0.79 TGM2 (0.62) TGM2HDAC1HDAC2ITGB3ITGAV
SCHEMBL11100666 0.77 TGM2 (0.60) TGM2HDAC1HDAC2CTSLCTSB
SCHEMBL3625155 0.77 MMP2 (0.62) TGM2HDAC1HDAC2CTSL
SCHEMBL11145406 0.77 TGM2 (0.68) TGM2HDAC1HDAC2CTSLSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT TGM2 2492/4885HDAC1 4145/4885HDAC2 4153/4885

“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.