SCHEMBL1852026

SCHEMBL1852026

COC(=O)[C@H](Cc1cc(Br)ccc1F)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.50
▸ MMP13 P45452 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ BRD2 P25440 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ PTK2 Q05397 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL3187696 0.87 AAK1 (0.48) AAK1MMP13NPSR1MEN1KMT2A
SCHEMBL13479123 0.83 MEN1 (0.39) NPSR1MEN1KMT2ADPP4DPP8
SCHEMBL6036399 0.81 KMT2A (0.41) AAK1NPSR1MEN1KMT2ACTSS
SCHEMBL31276812 0.80 AAK1 (0.41) AAK1MMP13NPSR1CTSSCTSK
SCHEMBL14431669 0.80 CTSB (0.47) AAK1MMP13MEN1KMT2ACTSS
SCHEMBL4876675 0.80 CTSB (0.47) AAK1MMP13MEN1KMT2ACTSS
SCHEMBL31564473 0.77 AAK1 (0.40) AAK1MMP13NPSR1CTSSCTSK
SCHEMBL1857532 0.77 CTSS (0.49) AAK1CTSSCTSK
SCHEMBL31276397 0.77 ADORA1 (0.39) AAK1MMP13PDK1PDK2PDK3
SCHEMBL31564221 0.77 AAK1 (0.41) AAK1MMP13NPSR1CTSSCTSK

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
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 — — EP disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 — — US disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 — — US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 — — US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 — — 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-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 AAK1 4116/4885MMP13 3370/4885NPSR1 4158/4885

“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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