SCHEMBL13398705

SCHEMBL13398705

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PRNP P04156 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 4/20 0.34
F2 P00734 1/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
MAOB P27338 1/20 0.32
GSK3B P49841 1/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31

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
SCHEMBL13399037 0.97 HPGD (0.41) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL5725399 0.92 MRGPRX4 (0.41) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL4947427 0.88 MRGPRX4 (0.40) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL14276973 0.88 HDAC3 (0.35) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL5724877 0.88 MRGPRX4 (0.39) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL13398745 0.87 KDM4E (0.34) HPGDKDM4EMAPTMCL1F2
SCHEMBL13399155 0.87 KDM4E (0.34) HPGDKDM4EMAPTMCL1F2
SCHEMBL5724880 0.87 PTGER1 (0.38) HPGDALDH1A1LMNAPRNPRECQL
SCHEMBL5726400 0.86 HPGD (0.39) HPGDALDH1A1KDM4EMAPTMCL1
SCHEMBL13399287 0.84 MAPT (0.35) KDM4EMAPTMCL1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 HPGD 170/4885ALDH1A1 2538/4885LMNA 1185/4885
US-20100105905-A1 EP2 Agonists PTGER2, PTGER1, PTGIR HPGD 170/4885ALDH1A1 2538/4885LMNA 1185/4885

“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.