SCHEMBL5585513

SCHEMBL5585513

COc1ccc(OCc2ccc(C(F)(F)F)cc2)c(-c2csc(N(CCC3CCCCC3)c3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
ALOX5 P09917 1/20 0.41
GCGR P47871 9/20 0.40
GIPR P48546 7/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 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
SCHEMBL5585517 0.92 MAPT (0.48) NPSR1GCGRMAPTSMN1; SMN2L3MBTL1
SCHEMBL5585387 0.90 NPSR1 (0.41) NPSR1ALOX5MAPTSMN1; SMN2RXRA
SCHEMBL5585434 0.90 GCGR (0.44) ALOX5GCGRGIPRRXRARXRB
SCHEMBL5585765 0.84 PTGER1 (0.37) GCGRMAPTSMN1; SMN2RXRARXRB
SCHEMBL5585518 0.84 PTGER1 (0.42) GCGRMAPTSMN1; SMN2RXRARXRB
SCHEMBL5585777 0.82 PTGER1 (0.49)
SCHEMBL5585563 0.82 PTGER1 (0.40) RXRARXRBRXRG
SCHEMBL5585729 0.81 RXRA (0.40) ALOX5GCGRGIPRRXRARXRB
SCHEMBL5585453 0.80 MRGPRX4 (0.40) GCGRGIPRSMN1; SMN2KDM4EHPGD
SCHEMBL5585717 0.79 ALOX5 (0.45) NPSR1ALOX5MAPTSMN1; SMN2KDM4E

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 NPSR1 369/4885ALOX5 3048/4885GCGR 317/4885

“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.