SCHEMBL2247336

SCHEMBL2247336

COc1ccccc1CN[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RCE1 Q9Y256 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3857999 0.88 KMT2A (0.43) ITGA4ITGB7ALDH1A1GAAATM
SCHEMBL3858005 0.88 KMT2A (0.43) ITGA4ITGB7ALDH1A1GAAATM
SCHEMBL2247333 0.85 ITGA4 (0.53) ITGA4ITGB7ALDH1A1GAAATM
SCHEMBL2248449 0.84 TAS1R3 (0.50) KMT2AMEN1
SCHEMBL2249746 0.83 KDM4E (0.48) ALDH1A1GAAL3MBTL1KMT2AHPGD
SCHEMBL30340352 0.82 PDCD1 (0.61) ITGA4ITGB7ALDH1A1GAAATM
SCHEMBL12389068 0.81 KMT2A (0.49) L3MBTL1KMT2AMEN1TSHRPOLB
Hydrochloric Acid SCHEMBL29213451 0.81 ITGA4 (0.61) ITGA4ITGB7ALDH1A1GAAATM
Hydrochloric Acid SCHEMBL29213454 0.81 ITGA4 (0.61) ITGA4ITGB7ALDH1A1GAAATM
SCHEMBL6375427 0.80 ITGA4 (0.73) ITGA4ITGB7ALDH1A1GAAATM

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 ITGA4 3706/4885ITGB7 3804/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ITGA4 3706/4885ITGB7 3804/4885ALDH1A1 991/4885

“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.