SCHEMBL5585647

SCHEMBL5585647

CC(C)c1ccc(COc2ccc(Cl)cc2-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.52
AMY1A P0DUB6 2/20 0.52
TYR P14679 1/20 0.52
HPGDS O60760 1/20 0.52
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
PTGER1 P34995 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5585445 0.90 HPGDS (0.58) CSNK2A1AMY1ATYRHPGDSPRMT5
SCHEMBL5585878 0.81 PTGER1 (0.56) MRGPRX4PTGER1MAPT
SCHEMBL5585704 0.80 CSNK2A1 (0.68) CSNK2A1AMY1ATYRHPGDSPRMT5
SCHEMBL5585682 0.78 CSNK2A1 (0.62) CSNK2A1AMY1ATYRHPGDSPRMT5
SCHEMBL5585496 0.76 PTGER1 (0.52) MRGPRX4PTGER1
SCHEMBL5585751 0.76 CSNK2A1 (0.59) CSNK2A1AMY1ATYRHPGDSPRMT5
SCHEMBL5585563 0.76 PTGER1 (0.40) MRGPRX4PTGER1RXRARXRB
SCHEMBL5585748 0.74 PTGER1 (0.54) MRGPRX4PTGER1
SCHEMBL5585641 0.73 PTGER1 (0.55) MRGPRX4PTGER1RXRARXRB
SCHEMBL5585515 0.73 PTGER1 (0.55) MRGPRX4PTGER1MAPTSMN1; SMN2

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 4 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-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 CSNK2A1 124/4885AMY1A 1404/4885TYR 193/4885

“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.