SCHEMBL10025898

SCHEMBL10025898

O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1C(c2cccc(Cl)c2Cl)c2[nH]cnc2C[C@H]1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
FFAR2 O15552 11/20 0.34
POLB P06746 1/20 0.33
HTT P42858 2/20 0.32
CNR2 P34972 1/20 0.32
NR4A1 P22736 1/20 0.32
ADRA1A P35348 1/20 0.31

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
SCHEMBL10025899 1.00 TSHR (0.34) TSHRFFAR2POLBHTTCNR2
SCHEMBL13822083 0.93 TSHR (0.33) TSHRPOLBHTTCNR2NR4A1
SCHEMBL10025903 0.92 FFAR2 (0.33) TSHRFFAR2POLBHTTADRA1A
SCHEMBL10025902 0.92 FFAR2 (0.33) TSHRFFAR2POLBHTTADRA1A
SCHEMBL10025912 0.92 FFAR2 (0.33) TSHRFFAR2POLBHTTADRA1A
SCHEMBL10025900 0.90 PDE5A (0.39) TSHRFFAR2POLB
SCHEMBL10025901 0.90 PDE5A (0.39) TSHRFFAR2POLB
SCHEMBL10025913 0.90 PDE5A (0.39) TSHRFFAR2POLB
SCHEMBL10025911 0.83 PDE5A (0.36) TSHR
SCHEMBL10025893 0.81 P2RX7 (0.38) TSHRPOLBHTTCNR2

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 TSHR 4249/4885FFAR2 3507/4885POLB 603/4885

“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.