SCHEMBL6501552

SCHEMBL6501552

COC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.58
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CTSL P07711 2/20 0.51
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
TGM2 P21980 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
ACE P12821 1/20 0.47
KDM4A O75164 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL18229063 0.89 CTSL (0.51) CA2PPARGPPARAMEN1KMT2A
SCHEMBL5026174 0.88 CA2 (0.55) CA2PPARGPPARAMEN1KMT2A
SCHEMBL441283 0.87 PPARA (0.68) CA2PPARGPPARACTSLITGA4
Hydrochloric Acid SCHEMBL27675903 0.87 CA2 (0.54) CA2PPARGPPARAMEN1KMT2A
SCHEMBL199415 0.87 PPARA (0.68) CA2PPARGPPARACTSLITGA4
SCHEMBL440723 0.87 PPARA (0.68) CA2PPARGPPARACTSLITGA4
Hydrochloric Acid SCHEMBL28059744 0.87 CA2 (0.54) CA2PPARGPPARAMEN1KMT2A
SCHEMBL28808498 0.86 CA2 (0.56) CA2PPARGPPARAMEN1KMT2A
SCHEMBL3686265 0.86 ITGB3 (0.52) CA2PPARGPPARAMEN1KMT2A
SCHEMBL3686259 0.86 ITGB3 (0.52) CA2PPARGPPARAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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 (2 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CA2 1436/4885PPARG 3217/4885PPARA 4103/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CA2 1436/4885PPARG 3217/4885PPARA 4103/4885

“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.