SCHEMBL13624184

SCHEMBL13624184

O=C(O)C1(N[C@@H](c2ccccc2)C(F)(F)F)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.42
CTSK P43235 5/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CTSS P25774 3/20 0.40
CTSB P07858 2/20 0.40
ALDH1A1 P00352 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TACR3 P29371 1/20 0.36

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
SCHEMBL4368196 0.98 CTSK (0.42) CTSLCTSKFABP4FABP5CTSS
SCHEMBL23673501 0.81 CTSK (0.37) CTSKFABP4FABP5
SCHEMBL2156068 0.79 CTSK (0.66) CTSLCTSKCTSSCTSB
SCHEMBL31414847 0.77 FABP4 (0.45) CTSLCTSKFABP4FABP5CTSS
SCHEMBL31414906 0.77 FABP4 (0.45) CTSLCTSKFABP4FABP5CTSS
SCHEMBL5870313 0.75 ALDH1A1 (0.40) CTSLCTSKFABP4FABP5ALDH1A1
SCHEMBL8257823 0.75 ALDH1A1 (0.40) CTSLCTSKFABP4FABP5ALDH1A1
SCHEMBL3259891 0.73 LMNA (0.51) ALDH1A1
SCHEMBL3259889 0.73 LMNA (0.51) ALDH1A1
SCHEMBL4377603 0.72 CTSL (0.35) CTSLCTSKCTSSCTSB

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-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 CTSL 24/4885CTSK 15/4885FABP4 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.