SCHEMBL10025903

SCHEMBL10025903

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1C(c2cccc(Cl)c2F)c2[nH]cnc2C[C@@H]1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 12/20 0.33
KMO O15229 1/20 0.32
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.30
MDM2 Q00987 2/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL10025912 1.00 FFAR2 (0.33) FFAR2KMONOTUMPOLBTSHR
SCHEMBL10025902 1.00 FFAR2 (0.33) FFAR2KMONOTUMPOLBTSHR
SCHEMBL10025898 0.92 TSHR (0.34) FFAR2POLBTSHRHTTADRA1A
SCHEMBL10025899 0.92 TSHR (0.34) FFAR2POLBTSHRHTTADRA1A
SCHEMBL10025911 0.91 PDE5A (0.36) NOTUMTSHRMDM2
SCHEMBL13822083 0.85 TSHR (0.33) NOTUMPOLBTSHRHTTADRA1A
SCHEMBL10025900 0.82 PDE5A (0.39) FFAR2POLBTSHR
SCHEMBL10025913 0.82 PDE5A (0.39) FFAR2POLBTSHR
SCHEMBL10025901 0.82 PDE5A (0.39) FFAR2POLBTSHR
SCHEMBL10025893 0.73 P2RX7 (0.38) POLBTSHRHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-8124616-B2 Bicyclic PPAT inhibitors as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-02-28 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US disclosed
US-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS MAXTHERA INC. (US) 2009-08-13 US 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-20090203730-A1 BICYCLIC PPAT INHIBITORS AS ANTIBACTERIAL AGENTS APRT, PPA1, GNPAT FFAR2 3507/4885KMO 1307/4885NOTUM 1151/4885

“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.