SCHEMBL5585376

SCHEMBL5585376

CCC(NCc1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.46
FFAR1 O14842 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MRE11 P49959 1/20 0.40
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39

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
SCHEMBL5585386 0.83 CPT1A (0.46) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5999835 0.82 HRH3 (0.45) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5585726 0.80 HRH3 (0.48) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5585514 0.80 HRH3 (0.48) PTPN1FFAR1HRH3MRGPRX4PTPN2
SCHEMBL6000178 0.80 HRH3 (0.44) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5585929 0.80 CSNK2A1 (0.58) PTPN1HRH3MRE11KDM4ENPC1
SCHEMBL5585872 0.79 HRH3 (0.47) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5585882 0.79 HRH3 (0.47) PTPN1FFAR1HRH3MRGPRX4MRE11
SCHEMBL5585458 0.79 HRH3 (0.44) PTPN1FFAR1HRH3MRGPRX4KDM4E
SCHEMBL5585378 0.79 HRH3 (0.42) PTPN1FFAR1HRH3MRGPRX4PTPN2

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 PTPN1 2/4885FFAR1 868/4885HRH3 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.