SCHEMBL12100240

SCHEMBL12100240

Ic1cccc(Oc2nccs2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.52
TLR2 O60603 1/20 0.52
P2RX3 P56373 1/20 0.37
SYK P43405 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAF1 P04049 2/20 0.33
MAP2K1 Q02750 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM5 P08912 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL8557561 0.80 TLR4 (0.52) TLR4TLR2P2RX3MEN1KMT2A
SCHEMBL8052741 0.80 TLR4 (0.52) TLR4TLR2P2RX3SYKRAB9A
SCHEMBL7355562 0.80 TLR4 (0.52) TLR4TLR2P2RX3SYKNPC1
SCHEMBL5431733 0.80 TLR4 (0.52) TLR4TLR2NPC1RAB9ASMN1; SMN2
SCHEMBL4686579 0.80 TLR4 (0.52) TLR4TLR2P2RX3SMN1; SMN2MEN1
SCHEMBL2110045 0.78 TLR4 (0.49) TLR4TLR2SYKNPC1RAB9A
SCHEMBL2354820 0.76 TLR4 (0.49) TLR4TLR2P2RX3SMN1; SMN2HCRTR1
SCHEMBL2539410 0.76 TLR4 (0.66) TLR4TLR2P2RX3NPC1RAB9A
SCHEMBL4685740 0.75 TLR4 (0.47) TLR4TLR2SYKNPC1RAB9A
Ethyne SCHEMBL27831513 0.75 TLR4 (0.47) TLR4TLR2SYKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683689-B1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2017-04-12 EP disclosed
US-8779148-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-07-15 US disclosed
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2014-02-27 US disclosed
EP-2683689-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-01-15 EP disclosed
US-8624034-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-01-07 US disclosed
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC 2012-09-13 US disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 WO 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 (2 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-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 TLR4 374/4885TLR2 677/4885P2RX3 361/4885
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 TLR4 374/4885TLR2 677/4885P2RX3 361/4885

“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.