SCHEMBL5585692

SCHEMBL5585692

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(Cc3ccc(C4CCCCC4)cc3)S(C)(=O)=O)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGES O14684 3/20 0.39
ALOX5 P09917 3/20 0.39
ALDH1A1 P00352 2/20 0.39
STAT3 P40763 5/20 0.38
STAT1 P42224 1/20 0.38
STAT5B P51692 1/20 0.38
GCGR P47871 3/20 0.38
GIPR P48546 3/20 0.38
CPB1 P15086 1/20 0.38

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
SCHEMBL5585722 0.92 GCGR (0.41) TRPM8STAT3STAT1STAT5BGCGR
Sulfuric Acid SCHEMBL5585551 0.91 RXRA (0.40) MEN1KMT2ATRPM8STAT3STAT1
SCHEMBL6000638 0.91 RXRA (0.42) MEN1KMT2AALDH1A1STAT3GCGR
SCHEMBL5585392 0.91 RXRA (0.42) MEN1KMT2AALDH1A1STAT3GCGR
SCHEMBL5585241 0.90 RXRA (0.41) MEN1KMT2AALDH1A1STAT3STAT1
Hydrochloric Acid SCHEMBL5585448 0.90 RXRA (0.41) MEN1KMT2AALDH1A1STAT3STAT1
SCHEMBL5585528 0.90 RXRA (0.41) MEN1KMT2AALDH1A1STAT3STAT1
SCHEMBL5585463 0.90 RXRA (0.43) MEN1KMT2ATRPM8ALDH1A1GCGR
SCHEMBL5585508 0.87 CPB1 (0.45) MEN1KMT2ATRPM8NPSR1STAT3
Tromethamine SCHEMBL5585604 0.86 GCGR (0.40) MEN1KMT2AALDH1A1GCGRGIPR

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 MEN1 3299/4885KMT2A 2589/4885TRPM8 1838/4885

“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.