SCHEMBL22552800

SCHEMBL22552800

CN(C(=O)OCc1ccccc1)C(COCCC[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ABCB1 P08183 2/20 0.40
FOLH1 Q04609 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
P2RX7 Q99572 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CPA1 P15085 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5194032 0.85 ITGB3 (0.52) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL22092025 0.85 ITGB3 (0.49) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL21837512 0.84 ITGB3 (0.47) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL21837387 0.84 ITGB3 (0.47) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL5191996 0.82 ABCB1 (0.47) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL25185926 0.81 CTSK (0.47) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL5192318 0.80 ABCB1 (0.47) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL14842127 0.80 ABCB1 (0.52) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL17669880 0.79 ABCB1 (0.49) ITGB3ITGA2BABCB1FOLH1CTSL
SCHEMBL22091943 0.78 ITGB3 (0.43) ITGB3ITGA2BABCB1FOLH1CTSL

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-3681875-B1 CYCLIC PEPTIDE ANTIBIOTICS HOFFMANN LA ROCHE (CH) 2026-01-14 EP disclosed
US-12358951-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2025-07-15 US disclosed
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 US disclosed
US-11279735-B2 Cyclic peptide antibiotics GENENTECH, INC. (US) 2022-03-22 US disclosed
US-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-10-22 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 (4 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-20200331968-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885ABCB1 1913/4885
US-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885ABCB1 1913/4885
US-12358951-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885ABCB1 1913/4885
US-11279735-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP ITGB3 4794/4885ITGA2B 4338/4885ABCB1 1913/4885

“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.