SCHEMBL13399155

SCHEMBL13399155

CC(C)(C)OC(=O)c1ccc(CCCN(CCCOc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)s1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MAPT P10636 1/20 0.33
F2 P00734 1/20 0.32
CA12 O43570 5/20 0.32
CA1 P00915 5/20 0.32
CA2 P00918 5/20 0.32
CA9 Q16790 5/20 0.32
MCL1 Q07820 2/20 0.32
PDK2 Q15119 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL14276973 0.87 HDAC3 (0.35) KDM4EMRGPRX4MAPTMCL1
SCHEMBL5725399 0.87 MRGPRX4 (0.41) KDM4EMRGPRX4MAPTF2MCL1
SCHEMBL13398705 0.87 HPGD (0.42) KDM4EMRGPRX4MAPTF2MCL1
SCHEMBL13398745 0.86 KDM4E (0.34) KDM4EMRGPRX4MAPTF2MCL1
SCHEMBL13399037 0.84 HPGD (0.41) KDM4EMRGPRX4MAPTF2MCL1
SCHEMBL4947427 0.84 MRGPRX4 (0.40) KDM4EMRGPRX4MAPTMCL1PDK2
SCHEMBL13399287 0.84 MAPT (0.35) KDM4EMRGPRX4MAPTMCL1PDK2
SCHEMBL5724877 0.83 MRGPRX4 (0.39) KDM4EMRGPRX4MAPTMCL1PDK2
SCHEMBL5724880 0.82 PTGER1 (0.38) KDM4EMRGPRX4MAPTF2CA12
SCHEMBL5726400 0.82 HPGD (0.39) KDM4EMRGPRX4MAPTMCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105905-A1 EP2 Agonists PFIZER INC. 2010-04-29 US disclosed
US-20100105905-A1 EP2 Agonists PFIZER INC. 2010-04-29 US disclosed
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-7622475-B2 EP2 agonists PFIZER INC (US) 2009-11-24 US disclosed
US-20080045545-A1 EP2 AGONISTS PFIZER INC. 2008-02-21 US disclosed
US-20080045545-A1 EP2 AGONISTS PFIZER INC. 2008-02-21 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 (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-20080045545-A1 EP2 AGONISTS PTGER2, PTGER1, PTGIR KDM4E 2123/4885MRGPRX4 177/4885MAPT 4076/4885
US-20100105905-A1 EP2 Agonists PTGER2, PTGER1, PTGIR KDM4E 2123/4885MRGPRX4 177/4885MAPT 4076/4885

“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.