SCHEMBL5585499

SCHEMBL5585499

CCCC(CCC)c1ccc(CN(C)c2ccc(-c3csc(N(C)Cc4ccc(C(=O)O)cc4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.42
GIPR P48546 7/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 6/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
GSTO1 P78417 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL6001016 1.00 GCGR (0.42) GCGRGIPRPTPN2PTPN1KDM4E
SCHEMBL5585661 0.92 GCGR (0.43) GCGRGIPRKDM4ERAB9AHTT
SCHEMBL6000139 0.88 PTPN2 (0.54) PTPN2PTPN1KDM4ERAB9AHTT
SCHEMBL6001000 0.88 PTPN2 (0.54) PTPN2PTPN1KDM4ERAB9AHTT
SCHEMBL5999922 0.85 PTPN2 (0.43) GCGRGIPRPTPN2PTPN1KDM4E
SCHEMBL6000688 0.85 PTPN2 (0.55) PTPN2PTPN1KDM4ERAB9APOLB
SCHEMBL6000216 0.85 PTPN2 (0.55) PTPN2PTPN1KDM4ERAB9APOLB
SCHEMBL5999781 0.85 PTPN2 (0.43) GCGRGIPRPTPN2PTPN1KDM4E
SCHEMBL6000827 0.84 GCGR (0.41) GCGRGIPRPTPN1KDM4ERAB9A
SCHEMBL6000019 0.84 PTPN2 (0.44) PTPN2PTPN1KDM4ERAB9AKMT2A

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 5 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-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 GCGR 317/4885GIPR 195/4885PTPN2 13/4885

“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.