SCHEMBL404324

SCHEMBL404324

N[C@@H](CCc1ccccc1)C(=O)NC[C@H](O)CC(=O)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.49
FCER2 P06734 1/20 0.49
MMP2 P08253 7/20 0.46
TSHR P16473 1/20 0.46
MMP8 P22894 2/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
MME P08473 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
MMP7 P09237 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL26393851 0.84 MMP2 (0.50) MMP2TSHRMMP8METAP2METAP1
SCHEMBL22849566 0.80 HDAC8 (0.58) MMP1FCER2MMP2TSHRMMP3
SCHEMBL8848708 0.79 TSHR (0.65) TSHRMMP8HDAC2HDAC8HDAC6
SCHEMBL3320743 0.76 HDAC2 (0.56) MMP1FCER2MMP2TSHRMMP8
SCHEMBL14444028 0.76 POLB (0.55) MMP1MMP2MMP8MMP3METAP2
SCHEMBL14022951 0.73 TSHR (0.51) TSHRMMP8METAP2METAP1
SCHEMBL20467181 0.71 LAP3 (0.63) TSHRMMP8
SCHEMBL4952912 0.71 LAP3 (0.63) TSHRMMP8
SCHEMBL15989112 0.71 TSHR (0.48) MMP1MMP2TSHRMMP8METAP2
SCHEMBL18654014 0.71 TSHR (0.48) MMP1MMP2TSHRMMP8METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 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 (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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP1 1000/4885FCER2 4846/4885MMP2 450/4885

“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.