SCHEMBL15411772

SCHEMBL15411772

O=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(F)cc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.38
▸ IL2 P60568 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TLR8 Q9NR97 2/20 0.36
▸ DHODH Q02127 4/20 0.35
▸ TMPRSS4 Q9NRS4 1/20 0.35
▸ TRPA1 O75762 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL15411982 0.82 TRPA1 (0.37) TLR7IL2CA1CA2DHODH
SCHEMBL15411339 0.81 MEN1 (0.50) TLR7IL2TRPA1LMNAMEN1
SCHEMBL15410865 0.81 CYP11B2 (0.49) TLR8TMPRSS4LMNAMEN1KMT2A
SCHEMBL15410871 0.79 TLR8 (0.51) TLR8TMPRSS4MEN1KMT2A
SCHEMBL15410542 0.78 TLR7 (0.60) TLR7TLR8
SCHEMBL15409614 0.77 RAB9A (0.52) LMNAMEN1KMT2A
SCHEMBL15411037 0.75 ABCC9 (0.52) LMNAMEN1KMT2A
SCHEMBL15411345 0.74 ITGB1 (0.44) TLR7TRPA1MEN1KMT2A
SCHEMBL15410528 0.72 P2RX1 (0.45) TLR8TMPRSS4MEN1KMT2A
SCHEMBL15411502 0.72 HTT (0.42) TLR7IL2TRPA1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018566-A1 PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES THE SCRIPPS RESEARCH INSTITUTE (US) 2014-01-16 — — 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-20140018566-A1 PALLADIUM(II)-CATALYZED SELECTIVE FLUORINATION OF BENZOIC ACIDS AND DERIVATIVES AHR, DDT, AOC2 TLR7 622/4885IL2 2951/4885CA1 2167/4885

“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.

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