SCHEMBL2247828

SCHEMBL2247828

CC(=O)NCCN(C(=O)c1ccc(-c2ccccc2)cc1)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
MMP2 P08253 3/20 0.38
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP14 P50281 2/20 0.38
ADAM17 P78536 1/20 0.38
MMP13 P45452 2/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL4357426 0.82 MMP12 (0.43) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL5651545 0.79 MMP12 (0.44) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL2247308 0.78 TRPM8 (0.43) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL4369489 0.77 PTGES (0.45) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL5654170 0.77 MMP12 (0.41) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL2246642 0.76 MMP12 (0.41) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL5651552 0.76 TRPM8 (0.45) MMP12RAB9ASMN1; SMN2FFAR1LMNA
SCHEMBL4364946 0.75 CD274 (0.47) MMP12ALDH1A1HPGDMAPT
SCHEMBL4363950 0.75 MMP12 (0.42) MMP12SMN1; SMN2FFAR1HIF1AALDH1A1
SCHEMBL27805475 0.75 TRPM8 (0.46) LMNACYP1A2ALDH1A1HPGDMAPT

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 MMP12 54/4885MTNR1A 723/4885MTNR1B 1116/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885MTNR1A 723/4885MTNR1B 1116/4885

“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.