SCHEMBL3044553

SCHEMBL3044553

COC(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.70
CTSL P07711 4/20 0.70
CTSB P07858 4/20 0.70
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
CTSK P43235 7/20 0.54
TRPM8 Q7Z2W7 1/20 0.52
TACR1 P25103 2/20 0.51
SYK P43405 1/20 0.51

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
SCHEMBL16346611 0.90 KYNU (0.59) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL3824323 0.90 CTSS (0.71) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL2400100 0.90 CTSS (0.71) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL2400096 0.90 CTSS (0.71) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL371131 0.89 KYNU (0.58) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL1069173 0.89 KYNU (0.58) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL3292733 0.89 CTSS (0.70) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL5189293 0.88 KYNU (0.57) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL952205 0.88 KYNU (0.59) CTSSCTSLCTSBKYNUALDH1A1
SCHEMBL952204 0.88 KYNU (0.59) CTSSCTSLCTSBKYNUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 US disclosed
CN-101107265-A Cyclic nonapeptide amides AICURIS GMBH & CO KG (DE) 2008-01-16 CN 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC CTSS 339/4885CTSL 360/4885CTSB 313/4885

“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.