SCHEMBL2247333

SCHEMBL2247333

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 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
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
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
SCHEMBL2247336 0.85 ITGA4 (0.53) ITGA4ITGB7ATML3MBTL1KMT2A
SCHEMBL2248442 0.84 TAS1R3 (0.50) KMT2AMEN1LMNAPOLB
SCHEMBL2249742 0.83 KDM4E (0.48) L3MBTL1KMT2AHTTHPGDALDH1A1
SCHEMBL2252960 0.80 FOLH1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2249856 0.80 ALDH1A1 (0.52) ATMKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL8803694 0.78 HPGD (0.57) ITGA4ITGB7ATML3MBTL1KMT2A
SCHEMBL2245797 0.78 FOLH1 (0.56) KMT2AMEN1ALDH1A1
SCHEMBL2250693 0.78 HPGDS (0.42) ALDH1A1
SCHEMBL2251929 0.78 MEP1B (0.52)
SCHEMBL2250511 0.77 MEN1 (0.47) KMT2AMEN1SMN1; SMN2TSHRPOLB

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 3804/4885ATM 4441/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ITGA4 3706/4885ITGB7 3804/4885ATM 4441/4885

“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.