SCHEMBL5585367

SCHEMBL5585367

CN(Cc1ccc(C(=O)OC(=O)[C@@H](N)CCCCN)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.38
EPOR P19235 2/20 0.38
HRH3 Q9Y5N1 1/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
LTA4H P09960 1/20 0.33
MRE11 P49959 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX5 P09917 2/20 0.32
GCGR P47871 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
CPB1 P15086 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL5585385 0.92 MRE11 (0.34) FFAR1MRE11GCGRCPB1
Lysine SCHEMBL5585366 0.90 FFAR1 (0.40) FFAR1EPORHRH3PTPN1PTPN2
Lysine SCHEMBL5585365 0.90 FFAR1 (0.40) FFAR1EPORHRH3PTPN1PTPN2
SCHEMBL5585443 0.85 LTA4H (0.38) FFAR1LTA4HGCGR
SCHEMBL5585910 0.84 KMT2A (0.41) FFAR1HRH3MAPTALDH1A1SMN1; SMN2
SCHEMBL5585530 0.84 LMNA (0.42) FFAR1HRH3PTPN1MRE11MAPT
SCHEMBL5999838 0.83 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2MAPT
SCHEMBL5585466 0.83 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2MAPT
SCHEMBL5585746 0.82 HRH3 (0.39) FFAR1HRH3PTPN1PTPN2MRE11
SCHEMBL5585509 0.82 HRH3 (0.44) FFAR1HRH3PTPN1PTPN2MAPT

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-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 FFAR1 868/4885EPOR 1093/4885HRH3 840/4885

“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.