SCHEMBL116396

SCHEMBL116396

CCOC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
FKBP1A P62942 2/20 0.39
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 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
SCHEMBL2704430 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2682785 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL9635522 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2572678 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL2202494 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL3041685 1.00 POLB (0.50) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL7807921 0.89 POLB (0.47) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL19262949 0.89 CYP3A4 (0.46) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL7811172 0.89 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19CHRM2
SCHEMBL117368 0.89 CYP1A2 (0.40) POLBCYP1A2CYP3A4CYP2C19CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES AJINOMOTO CO., INC. (JP) 2016-02-18 US disclosed
EP-2421826-B1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS HOFFMANN LA ROCHE (CH) 2013-10-23 EP disclosed
US-8163793-B2 Proline derivatives HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2421826-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-02-29 EP disclosed
WO-2010121918-A1 PROLINE DERIVATIVES AS CATHEPSIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100267722-A1 NOVEL PROLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-21 US disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO 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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 POLB 4839/4885CYP1A2 946/4885CYP3A4 1713/4885
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 POLB 455/4885CYP1A2 272/4885CYP3A4 88/4885
US-20100267722-A1 NOVEL PROLINE DERIVATIVES PRAP1, PRR12, SLC6A7 POLB 3726/4885CYP1A2 936/4885CYP3A4 2047/4885
US-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES PPARG, GPR119, PPARA POLB 2155/4885CYP1A2 638/4885CYP3A4 981/4885

“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.