SCHEMBL2074852

SCHEMBL2074852

NC(=O)[C@H](Cc1ccc(S(=O)(=O)c2ccccc2)cc1)NC(=O)C1CCCCN1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.56
ITGB1 P05556 2/20 0.51
ITGA5 P08648 2/20 0.51
OPRM1 P35372 2/20 0.49
OPRD1 P41143 2/20 0.49
OPRK1 P41145 1/20 0.49
XIAP P98170 2/20 0.48

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
SCHEMBL3692633 0.88 VHL (0.57) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2074631 0.87 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2074630 0.87 VHL (0.53) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2071996 0.86 VHL (0.54) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL8268070 0.83 ITGB1 (0.65) VHLITGB1ITGA5
SCHEMBL1379870 0.83 ITGB1 (0.65) VHLITGB1ITGA5
SCHEMBL629765 0.83 ITGB1 (0.65) VHLITGB1ITGA5
SCHEMBL2074696 0.80 VHL (0.51) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL2075581 0.79 VHL (0.50) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL30157177 0.78 OPRM1 (0.66) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885ITGB1 638/4885ITGA5 830/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885ITGB1 638/4885ITGA5 830/4885

“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.