SCHEMBL7541004

SCHEMBL7541004

C=CCOCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 11/20 0.39
CTSS P25774 5/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
KLK5 Q9Y337 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL28659964 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL15727250 0.90 SMN1; SMN2 (0.41) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL3935052 0.89 SMN1; SMN2 (0.44) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL2241213 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CTSKCTSSMAPTCTSL
SCHEMBL25755437 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CTSKCTSSMAPTCTSL
SCHEMBL2241216 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CTSKCTSSMAPTCTSL
SCHEMBL15727271 0.87 SMN1; SMN2 (0.39) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL1604541 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL615909 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSK
SCHEMBL615910 0.86 SMN1; SMN2 (0.50) SMN1; SMN2NFKB1NFKB2RELACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2023-01-26 US disclosed
EP-4046996-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF Universität Bielefeld (DE) 2022-08-24 EP disclosed
CN-113710687-A Cyclopeptide antibiotics 豪夫迈·罗氏有限公司 2021-11-26 CN disclosed
WO-2020185999-A1 CYCLIC PEPTIDE ANTIBIOTICS GENENTECH, INC. (US) 2020-09-17 WO disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP 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 (2 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-20230025834-A1 CYCLIC PEPTIDE ANTIBIOTICS NPPA, LNPEP, CLPP SMN1; SMN2 3801/4885NFKB1 2768/4885NFKB2 2669/4885
US-12358951-B2 Cyclic peptide antibiotics NPPA, LNPEP, CLPP SMN1; SMN2 3801/4885NFKB1 2768/4885NFKB2 2669/4885

“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.