SCHEMBL5585559

SCHEMBL5585559

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(Cc3ccc(C(F)(F)F)cc3)CC3CCOCC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.46
GIPR P48546 16/20 0.46
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
GSTO1 P78417 1/20 0.37

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
SCHEMBL5585521 0.93 GCGR (0.46) GCGRGIPRKDM4EMEN1ALDH1A1
SCHEMBL5585683 0.82 GCGR (0.47) GCGRGIPRKDM4EMEN1ALDH1A1
SCHEMBL5585238 0.79 RAB9A (0.50) GCGRGIPRKDM4EMEN1ALDH1A1
SCHEMBL5585655 0.78 GCGR (0.49) GCGRGIPRALDH1A1
SCHEMBL5585567 0.76 ADRB2 (0.51) GCGRGIPR
SCHEMBL5585426 0.74 GCGR (0.55) GCGRGIPRKDM4EMEN1ALDH1A1
SCHEMBL5585962 0.73 LMNA (0.48) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5585375 0.73 CPB1 (0.46) GCGRGIPRKDM4EMEN1ALDH1A1
SCHEMBL5585255 0.73 TRPM8 (0.47) GCGRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL5585510 0.73 PPARD (0.58)

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 195/4885KDM4E 1482/4885

“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.