SCHEMBL5585443

SCHEMBL5585443

CN(Cc1ccc(C(=O)OC(=O)[C@@H](N)Cc2cnc[nH]2)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
FFAR1 O14842 2/20 0.34
HRAS P01112 8/20 0.34
GCGR P47871 1/20 0.33

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
SCHEMBL5585367 0.85 FFAR1 (0.38) LTA4HFFAR1GCGR
SCHEMBL5585910 0.82 KMT2A (0.41) FFAR1
SCHEMBL5585530 0.82 LMNA (0.42) FFAR1
SCHEMBL5585466 0.80 HRH3 (0.44) FFAR1
SCHEMBL5999838 0.80 HRH3 (0.44) FFAR1
SCHEMBL5585746 0.80 HRH3 (0.39) FFAR1GCGR
SCHEMBL5585799 0.79 HRH3 (0.44) FFAR1
SCHEMBL5585509 0.79 HRH3 (0.44) FFAR1
Hydrochloric Acid SCHEMBL5585627 0.79 HRH3 (0.44) FFAR1
SCHEMBL5585787 0.79 HRH3 (0.39) FFAR1GCGR

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 3 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-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 LTA4H 2631/4885HRH2 1144/4885HRH1 1390/4885

“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.