SCHEMBL5585765

SCHEMBL5585765

Cc1ccc(OCc2ccccc2)c(-c2csc(N(CCC3CCCCC3)c3ccc(C(=O)O)cc3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
GUCY1B2 O75343 9/20 0.37
GUCY1A2 P33402 9/20 0.37
GUCY1A1 Q02108 9/20 0.37
GUCY1B1 Q02153 9/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
GCGR P47871 1/20 0.35
BRD4 O60885 1/20 0.35

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 0.91 MAPT (0.48) PTGER1MAPTSMN1; SMN2GCGR
SCHEMBL5585777 0.91 PTGER1 (0.49) PTGER1MRGPRX4
SCHEMBL5585518 0.91 PTGER1 (0.42) PTGER1MAPTSMN1; SMN2RXRARXRB
SCHEMBL5585563 0.85 PTGER1 (0.40) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL5585639 0.84 PTGER1 (0.50) PTGER1
SCHEMBL5585513 0.84 NPSR1 (0.41) MAPTSMN1; SMN2RXRARXRBRXRG
SCHEMBL5585434 0.83 GCGR (0.44) PTGER1RXRARXRBRXRGMRGPRX4
SCHEMBL5585429 0.83 PTGER1 (0.52) PTGER1
SCHEMBL5585453 0.83 MRGPRX4 (0.40) PTGER1SMN1; SMN2MRGPRX4GCGR
SCHEMBL5585646 0.81 PTGER1 (0.48) PTGER1MRGPRX4

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 PTGER1 3758/4885GUCY1B2 1457/4885GUCY1A2 797/4885

“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.