SCHEMBL4876675

SCHEMBL4876675

COC(=O)[C@H](Cc1cccc(Br)c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ AAK1 Q2M2I8 2/20 0.47
▸ RIPK1 Q13546 1/20 0.42
▸ MMP13 P45452 1/20 0.40
▸ REN P00797 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GLA P06280 1/20 0.37

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
SCHEMBL14431669 1.00 CTSB (0.47) CTSBCTSSCTSKAAK1RIPK1
SCHEMBL25183126 0.88 CTSB (0.49) CTSBCTSSCTSKAAK1RIPK1
SCHEMBL8724334 0.85 ITGA4 (0.49) CTSBCTSSCTSKMMP13REN
SCHEMBL8724329 0.85 ITGA4 (0.49) CTSBCTSSCTSKMMP13REN
SCHEMBL12600955 0.85 ITGA4 (0.49) CTSBCTSSCTSKMMP13REN
SCHEMBL14004371 0.82 PTGES (0.44) CTSBCTSSCTSKRIPK1KMT2A
SCHEMBL7658636 0.81 CTSB (0.47) CTSBCTSSCTSKMMP13
SCHEMBL8717981 0.81 CTSB (0.47) CTSBCTSSCTSKMMP13
SCHEMBL1852026 0.80 AAK1 (0.50) CTSSCTSKAAK1MMP13KMT2A
SCHEMBL3187696 0.80 AAK1 (0.48) AAK1MMP13KMT2AMEN1CYP1A2

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — US disclosed
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 — — 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 CTSB 1334/4885CTSS 1049/4885CTSK 1658/4885

“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.

Send feedback