SCHEMBL2074630

SCHEMBL2074630

CC(C)(C)OC(=O)N1CCCCC1C(=O)N[C@@H](Cc1ccc(S(=O)(=O)c2ccccc2)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MCL1 Q07820 7/20 0.49
WNT3 P56703 2/20 0.48
SFRP1 Q8N474 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
XIAP P98170 2/20 0.47
ACE P12821 1/20 0.47

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
SCHEMBL2074631 1.00 VHL (0.53) VHLMEN1KMT2AMCL1WNT3
SCHEMBL7858495 0.89 VHL (0.51) VHLMEN1KMT2AMCL1
SCHEMBL2075346 0.87 VHL (0.49) VHLMEN1KMT2AOPRM1OPRD1
SCHEMBL2075347 0.87 VHL (0.49) VHLMEN1KMT2AOPRM1OPRD1
SCHEMBL2074852 0.87 VHL (0.56) VHLOPRM1OPRD1OPRK1XIAP
SCHEMBL749563 0.84 USP30 (0.51) VHLMEN1KMT2AMCL1OPRM1
SCHEMBL3825215 0.82 CMA1 (0.63) MEN1KMT2AACE
SCHEMBL3165688 0.82 CMA1 (0.63) MEN1KMT2AACE
SCHEMBL21748404 0.82 CMA1 (0.63) MEN1KMT2AACE
SCHEMBL3165695 0.82 CMA1 (0.63) MEN1KMT2AACE

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 10 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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
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
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US 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 4069/4885MEN1 2307/4885KMT2A 3944/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R VHL 4069/4885MEN1 2307/4885KMT2A 3944/4885

“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.