SCHEMBL18415463

SCHEMBL18415463

C[C@H](NC(=O)C(=O)N[C@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.66
▸ MMP8 P22894 2/20 0.66
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ HSD17B10 Q99714 2/20 0.63
▸ KDM4E B2RXH2 7/20 0.63
▸ LMNA P02545 3/20 0.63
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CTDSP1 Q9GZU7 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ MMP14 P50281 1/20 0.57

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
SCHEMBL9635074 1.00 MMP9 (0.66) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL25336459 1.00 MMP9 (0.66) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL9868347 0.90 MMP9 (0.57) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL12291882 0.90 HSD17B10 (0.58) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL12707460 0.90 HSD17B10 (0.58) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL8300122 0.90 HSD17B10 (0.58) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL12831213 0.88 HSD17B10 (0.56) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL924286 0.86 HSD17B10 (0.75) MEN1KMT2AHSD17B10KDM4ELMNA
SCHEMBL247742 0.86 HSD17B10 (0.63) MMP9MMP8MEN1KMT2AHSD17B10
SCHEMBL249524 0.86 HSD17B10 (0.63) MMP9MMP8MEN1KMT2AHSD17B10

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
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 — — EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 — — EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 — — WO 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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 MMP9 4686/4885MMP8 4399/4885MEN1 388/4885

“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.

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