SCHEMBL3586571

SCHEMBL3586571

CC(C)c1c(C(=O)N(C)Cc2c(F)cncc2F)[nH]c(C(N)=O)c1S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 5/20 0.33
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
TLR9 Q9NR96 1/20 0.32
NAMPT P43490 1/20 0.32
LIPE Q05469 1/20 0.31
LIMK2 P53671 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 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
SCHEMBL3592689 0.89 NAMPT (0.34) FFAR2TLR8TLR7TLR9NAMPT
SCHEMBL3578424 0.86 LIPE (0.42) LIPELIMK2
SCHEMBL3582278 0.85 LIMK2 (0.40) TLR8TLR7TLR9LIPELIMK2
SCHEMBL3585214 0.83 FFAR2 (0.34) FFAR2TLR8TLR7TLR9LIPE
SCHEMBL3586340 0.82 NAMPT (0.35) FFAR2TLR8TLR7NAMPT
SCHEMBL3579005 0.81 FFAR2 (0.36) FFAR2TLR8TLR7TLR9
SCHEMBL3579136 0.81 MAP2 (0.34) FFAR2LIPELIMK2
SCHEMBL3587755 0.80 FFAR2 (0.33) FFAR2TLR8TLR7TLR9
SCHEMBL3574231 0.78 CRHBP (0.40) FFAR2
SCHEMBL3577652 0.77 BRD4 (0.30)

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 4589/4885TLR8 975/4885TLR7 421/4885

“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.