SCHEMBL3587755

SCHEMBL3587755

CC(C)c1c(C(=O)N(C)Cc2ccnc(Cl)c2F)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL3579005 0.92 FFAR2 (0.36) FFAR2TLR9TLR8TLR7
SCHEMBL3586340 0.85 NAMPT (0.35) FFAR2PTGDR2TLR8TLR7
SCHEMBL3592689 0.85 NAMPT (0.34) FFAR2PTGDR2TLR9TLR8TLR7
SCHEMBL3585214 0.84 FFAR2 (0.34) FFAR2TLR9TLR8TLR7
SCHEMBL3578424 0.84 LIPE (0.42)
SCHEMBL3579136 0.83 MAP2 (0.34) FFAR2PTGDR2
SCHEMBL3582755 0.81 HTR6 (0.33) FFAR2TLR9TLR8TLR7
SCHEMBL3574231 0.81 CRHBP (0.40) FFAR2
SCHEMBL3582278 0.81 LIMK2 (0.40) TLR9TLR8TLR7
SCHEMBL3583691 0.81 NAMPT (0.33) FFAR2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 US claimed
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E FFAR2 4589/4885PTGDR2 3924/4885TLR9 412/4885

“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.