SCHEMBL5585655

SCHEMBL5585655

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.49
GIPR P48546 8/20 0.49
MAOB P27338 2/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
PPARD Q03181 2/20 0.47
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
NR4A2 P43354 1/20 0.45
ALOX5 P09917 1/20 0.44
PSEN1 P49768 1/20 0.44
SMPD1 P17405 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL5585510 0.90 PPARD (0.58) PPARD
SCHEMBL5585686 0.84 KMT2A (0.47) MAOBRXRARXRBNR4A2ALDH1A1
SCHEMBL5585411 0.83 FFAR1 (0.44) ADAMTS4MMP13RXRARXRBALOX5
SCHEMBL5585567 0.82 ADRB2 (0.51) GCGRGIPRL3MBTL1
SCHEMBL5585732 0.80 KMT2A (0.43) ADAMTS4MMP13PPARDNR4A2ALDH1A1
SCHEMBL5585521 0.79 GCGR (0.46) GCGRGIPRALOX5ALDH1A1
SCHEMBL1633626 0.79 FFAR1 (0.56) PPARDL3MBTL1
SCHEMBL5585255 0.79 TRPM8 (0.47) GCGRALDH1A1L3MBTL1
SCHEMBL14601449 0.79 KMT2A (0.40) ADAMTS4MMP13RXRARXRBNR4A2
SCHEMBL6000081 0.78 RXRA (0.48) GCGRGIPRRXRARXRBNR4A2

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 195/4885MAOB 1036/4885

“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.