SCHEMBL2247404

SCHEMBL2247404

CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.71
MMP2 P08253 1/20 0.71
MMP8 P22894 1/20 0.71
MMP12 P39900 1/20 0.71
ACKR3 P25106 4/20 0.46
ADAMTS4 O75173 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGDS O60760 5/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 3/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
ESRRG P62508 1/20 0.41

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
SCHEMBL2244952 0.97 ADAMTS5 (0.70) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2249511 0.97 ADAMTS5 (0.69) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2247435 0.93 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2247372 0.93 ADAMTS5 (0.64) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2254224 0.92 ADAMTS5 (0.60) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2247930 0.91 ADAMTS5 (0.62) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL4624083 0.91 ADAMTS5 (0.64) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2249785 0.91 ADAMTS5 (0.58) ADAMTS5MMP2MMP8MMP12ADAMTS4
SCHEMBL2247400 0.88 ADAMTS5 (0.55) ADAMTS5MMP2MMP8MMP12ACKR3
SCHEMBL2243910 0.88 ADAMTS5 (0.56) ADAMTS5MMP2MMP8MMP12ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed
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 ADAMTS5 1/4885MMP2 49/4885MMP8 70/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ADAMTS5 1/4885MMP2 49/4885MMP8 70/4885

“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.