SCHEMBL2246950

SCHEMBL2246950

CC(C)OCCCN[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FOLH1 Q04609 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GAA P10253 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
GGT1 P19440 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8878021 0.85 TSHR (0.44) ALDH1A1FOLH1NOD1CA2CA1
SCHEMBL8878008 0.85 TSHR (0.44) ALDH1A1FOLH1NOD1CA2CA1
SCHEMBL2246948 0.82 ALDH1A1 (0.41) ALDH1A1FOLH1GAAL3MBTL1TSHR
SCHEMBL7759622 0.80 NOD1 (0.57) FOLH1NOD1L3MBTL1KMT2AALOX15
SCHEMBL7759612 0.80 NOD1 (0.57) FOLH1NOD1L3MBTL1KMT2AALOX15
SCHEMBL8904869 0.78 FOLH1 (0.40) FOLH1NOD1CA2CA1L3MBTL1
SCHEMBL2249271 0.78 FOLH1 (0.40) FOLH1NOD1CA2CA1L3MBTL1
SCHEMBL627829 0.78 NOD1 (0.59) NOD1KMT2AALOX15BLMPMP22
SCHEMBL627830 0.78 NOD1 (0.59) NOD1KMT2AALOX15BLMPMP22
Hydrochloric Acid SCHEMBL27497106 0.78 NOD1 (0.56) FOLH1NOD1L3MBTL1KMT2AALOX15

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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885FOLH1 17/4885NOD1 4754/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885FOLH1 17/4885NOD1 4754/4885

“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.