SCHEMBL3049273

SCHEMBL3049273

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.47
CTSS P25774 6/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KLK5 Q9Y337 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2367410 1.00 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4097410 0.94 CTSS (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29195222 0.88 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL4576576 0.87 CTSL (0.56) CTSKCTSSCA1CA2CA7
SCHEMBL30916044 0.86 CYP1A2 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18234094 0.86 CYP1A2 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15454774 0.86 CYP1A2 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15454775 0.86 CYP1A2 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL5745584 0.86 CA1 (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16346409 0.86 CYP1A2 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19

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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 US disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed
US-7727956-B2 Deoxonadepsipeptides AICURIS GMBH & CO. KG (DE) 2010-06-01 US disclosed
US-7718611-B2 Cyclic nonapeptide amides AICURIS GMBH & CO. KG (DE) 2010-05-18 US disclosed
EP-1805212-B1 DESOXO-NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2009-06-10 EP 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
US-20080058253-A1 Deoxononadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-03-06 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 (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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR CTSK 3825/4885CTSS 4147/4885CYP1A2 106/4885
US-20080058253-A1 Deoxononadepsipeptides VIP, DNPEP, NPPA CTSK 454/4885CTSS 1183/4885CYP1A2 2975/4885
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 CTSK 682/4885CTSS 339/4885CYP1A2 4294/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSK 204/4885CTSS 245/4885CYP1A2 1102/4885

“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.