SCHEMBL17316183

SCHEMBL17316183

CC(C)(C)OC(=O)CCS(=O)(=O)CC[C@](N)(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 2/20 0.36
CASP3 P42574 3/20 0.36
FABP5 Q01469 3/20 0.36
FABP7 O15540 2/20 0.36
MDM2 Q00987 1/20 0.35
MDM4 O15151 1/20 0.33
TP53 P04637 1/20 0.33
EPHX2 P34913 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL28125253 1.00 CA1 (0.37) CA1CA2KMT2ACASP3FABP5
SCHEMBL5973232 0.89 KMT2A (0.41) CA1CA2KMT2ACASP3FABP5
SCHEMBL29173690 0.89 KMT2A (0.41) CA1CA2KMT2ACASP3FABP5
SCHEMBL30983360 0.87 KMT2A (0.38) CA1CA2KMT2ACASP3FABP5
SCHEMBL28124873 0.87 KMT2A (0.38) CA1CA2KMT2ACASP3FABP5
SCHEMBL28124455 0.87 KMT2A (0.42) CA1CA2KMT2ACASP3FABP5
SCHEMBL16060617 0.87 KMT2A (0.42) CA1CA2KMT2ACASP3FABP5
SCHEMBL28124396 0.86 KMT2A (0.43) CA1CA2KMT2ACASP3FABP5
SCHEMBL17079656 0.86 KMT2A (0.43) CA1CA2KMT2ACASP3FABP5
SCHEMBL28124397 0.85 KMT2A (0.45) CA1CA2KMT2ACASP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152225-B1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN LA ROCHE (CH) 2018-11-14 EP disclosed
EP-3152225-A1 PEPTIDES AS OXYTOCIN AGONISTS F. Hoffmann-La Roche AG (CH) 2017-04-12 EP disclosed
US-20170081368-A1 PEPTIDES AS OXYTOCIN AGONISTS HOFFMANN-LA ROCHE INC. (US) 2017-03-23 US disclosed
WO-2015185584-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-10 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 (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-20170081368-A1 PEPTIDES AS OXYTOCIN AGONISTS OXTR, AVPR1B, AVPR1A CA1 3951/4885CA2 4871/4885KMT2A 2373/4885

“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.