SCHEMBL2252602

SCHEMBL2252602

Cc1ccc(-c2ccc(C(=O)N([C@@H](CCC(N)=O)C(=O)O)C(C)(C)Cc3ccccc3)cc2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.34
ERN1 O75460 1/20 0.34
MMP2 P08253 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP8 P22894 1/20 0.34
MMP12 P39900 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
AKR1B10 O60218 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C1 Q04828 1/20 0.32
KIF11 P52732 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL2244641 0.90 MMP2 (0.38) MMP2ALDH1A1MMP8MMP12ADAMTS5
SCHEMBL2245193 0.89 MMP2 (0.43) TP53LMNAMMP2ALDH1A1MMP8
SCHEMBL2245867 0.88 MMP2 (0.40) ERN1MMP2ALDH1A1MMP8MMP12
SCHEMBL2244927 0.88 PPARG (0.37) LMNAERN1MMP2ALDH1A1NPSR1
SCHEMBL2245162 0.86 ERN1 (0.36) LMNAERN1MMP2ALDH1A1MMP8
SCHEMBL2252563 0.85 PTPN1 (0.35) MMP2MMP8MMP12ADAMTS5PPARG
SCHEMBL2247320 0.85 MMP2 (0.35) LMNAERN1MMP2ALDH1A1MMP8
SCHEMBL2248091 0.84 HSD17B2 (0.41) MMP2ALDH1A1MMP8MMP12ADAMTS5
SCHEMBL2245812 0.84 HDAC1 (0.37) ERN1MMP2ALDH1A1ADAMTS5HDAC1
SCHEMBL4621840 0.83 KMT2A (0.37) LMNAALDH1A1KIF11L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US claimed
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 TP53 4136/4885LMNA 4015/4885ERN1 4568/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TP53 4136/4885LMNA 4015/4885ERN1 4568/4885

“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.