SCHEMBL15723937

SCHEMBL15723937

CC(C)c1ncccc1-c1ccc(N)c(C(C)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 15/20 0.37
FEN1 P39748 15/20 0.37
SCN9A Q15858 1/20 0.37
MAP4K4 O95819 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
PGR P06401 1/20 0.33
TGFBR1 P36897 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
SCHEMBL15724375 0.83 FEN1 (0.40) ALOX5APFEN1AAK1
SCHEMBL15724371 0.77 FEN1 (0.45) ALOX5APFEN1MAP4K4TGFBR1
SCHEMBL15723914 0.76 PTPN5 (0.40) MAP4K4
SCHEMBL18853997 0.76 ALOX5AP (0.45) ALOX5APFEN1AAK1
SCHEMBL27305756 0.76 TRPM8 (0.37)
SCHEMBL15730880 0.73 MKNK1 (0.46) ALOX5APFEN1SCN9ATGFBR1
SCHEMBL15723959 0.72 FEN1 (0.45) ALOX5APFEN1TGFBR1
SCHEMBL18854065 0.71 ALDH1A1 (0.46) TGFBR1
SCHEMBL18853922 0.71 ALOX5AP (0.40) ALOX5APFEN1TGFBR1
SCHEMBL15723932 0.70 RIPK1 (0.37) SCN9A

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-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ALOX5AP 1825/4885FEN1 2354/4885SCN9A 2969/4885

“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.