SCHEMBL4368196

SCHEMBL4368196

O=C(O)C1(NC(c2ccccc2)C(F)(F)F)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.42
CTSL P07711 5/20 0.41
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.39
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
ALDH1A1 P00352 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL13624184 0.98 CTSL (0.42) CTSKCTSLFABP4FABP5CTSS
SCHEMBL23673501 0.82 CTSK (0.37) CTSKFABP4FABP5FAAHTRPV1
SCHEMBL2156068 0.80 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL8257823 0.77 ALDH1A1 (0.40) CTSKCTSLFABP4FABP5FAAH
SCHEMBL5870313 0.77 ALDH1A1 (0.40) CTSKCTSLFABP4FABP5FAAH
SCHEMBL31414906 0.75 FABP4 (0.45) CTSKCTSLFABP4FABP5CTSS
SCHEMBL31414847 0.75 FABP4 (0.45) CTSKCTSLFABP4FABP5CTSS
SCHEMBL4377603 0.74 CTSL (0.35) CTSKCTSLCTSSCTSB
SCHEMBL3259891 0.72 LMNA (0.51) ALDH1A1
SCHEMBL3259889 0.72 LMNA (0.51) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF CTSK 15/4885CTSL 24/4885FABP4 2077/4885

“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.