SCHEMBL2249864

SCHEMBL2249864

COc1ccc(CN[C@@H](CCC(N)=O)C(=O)O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LDHA P00338 1/20 0.52
MAPK1 P28482 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.46
EPHX2 P34913 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL2242399 0.88 KMT2A (0.56) ATMALDH1A1LDHAMEN1KMT2A
SCHEMBL2250523 0.87 KMT2A (0.47) ATMMEN1KMT2A
SCHEMBL2249856 0.85 ALDH1A1 (0.52) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL2242522 0.84 MMP2 (0.48) ALDH1A1LDHAHDAC8
SCHEMBL30219090 0.84 ATM (0.53) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL29213273 0.84 ATM (0.53) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL29213279 0.84 ATM (0.53) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL1760837 0.83 ATM (0.57) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL1760832 0.83 ATM (0.57) ATMALDH1A1LDHAMAPK1MEN1
SCHEMBL2248276 0.82 MEN1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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 ATM 4441/4885ALDH1A1 991/4885LDHA 1873/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ATM 4441/4885ALDH1A1 991/4885LDHA 1873/4885

“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.