SCHEMBL5651545

SCHEMBL5651545

NC(=O)[C@H](CCC(=O)O)N(CCCCc1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
FFAR1 O14842 3/20 0.42
MAPT P10636 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HDAC2 Q92769 3/20 0.41
HDAC1 Q13547 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL5653109 0.85 SRD5A2 (0.47) MMP2FFAR1
SCHEMBL5653519 0.83 CYP1A2 (0.44) MAPTHDAC2HDAC1SMN1; SMN2HDAC3
SCHEMBL4363950 0.82 MMP12 (0.42) MMP12MMP2MMP8MMP13FFAR1
SCHEMBL4357426 0.81 MMP12 (0.43) MMP12FFAR1MAPTSMN1; SMN2HPGD
SCHEMBL4621072 0.80 SMN1; SMN2 (0.40) MMP12MMP2MMP8MMP13MAPT
SCHEMBL4621962 0.80 MMP12 (0.40) MMP12MMP2MMP8MMP13FFAR1
SCHEMBL2247828 0.79 MMP12 (0.42) MMP12MMP2MMP8MMP13FFAR1
SCHEMBL2246642 0.79 MMP12 (0.41) MMP12MMP2MMP8MMP13FFAR1
SCHEMBL2246723 0.78 MMP12 (0.44) MMP12MMP2MMP8MMP13
SCHEMBL4369489 0.78 PTGES (0.45) MMP12MMP2MMP8MMP13FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP12 54/4885MMP2 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.