SCHEMBL2246569

SCHEMBL2246569

NC(=O)CC[C@H](NCc1cccc(I)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.53
MEP1B Q16820 6/20 0.48
KMT2A Q03164 1/20 0.43
MMP2 P08253 3/20 0.42
MMP9 P14780 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALB P02768 1/20 0.39
IL2 P60568 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL461571 0.84 KMT2A (0.54) FOLH1MEP1BKMT2AMMP2MMP9
SCHEMBL461572 0.84 KMT2A (0.54) FOLH1MEP1BKMT2AMMP2MMP9
SCHEMBL2246565 0.84 FOLH1 (0.56) FOLH1MEP1BMMP2CYP1A2CYP2D6
SCHEMBL2249541 0.84 L3MBTL1 (0.50) MEP1BKMT2AMMP2MMP9L3MBTL1
SCHEMBL2247653 0.84 FOLH1 (0.53) FOLH1MEP1BKMT2A
SCHEMBL2252839 0.83 FOLH1 (0.49) FOLH1KMT2AMMP2MMP9L3MBTL1
SCHEMBL2248276 0.81 MEN1 (0.51) KMT2AL3MBTL1CYP1A2HIF1A
SCHEMBL2250381 0.81 MRGPRX4 (0.53) MEP1BKMT2AMRGPRX4L3MBTL1CYP1A2
SCHEMBL5655905 0.80 KDM4E (0.42) FOLH1MEP1BKMT2AMMP2MMP9
SCHEMBL2247050 0.80 CYP2D6 (0.54) MEP1BKMT2AL3MBTL1CYP2D6CYP2C19

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 FOLH1 17/4885MEP1B 2803/4885KMT2A 2364/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 FOLH1 17/4885MEP1B 2803/4885KMT2A 2364/4885

“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.