SCHEMBL5364180

SCHEMBL5364180

O=C(NCCN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)Nc1nc2ccccc2s1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.73
CTSL P07711 10/20 0.56
CTSK P43235 6/20 0.52
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5364177 1.00 CTSS (0.73) CTSSCTSLCTSKKDM4EMEN1
SCHEMBL5352741 0.87 CTSS (0.65) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL5352732 0.87 CTSS (0.65) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL5364153 0.84 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5364143 0.84 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL4802042 0.81 CTSS (0.60) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL4802050 0.81 CTSS (0.60) CTSSCTSLCTSKSMN1; SMN2
SCHEMBL3014808 0.79 CTSS (0.63) CTSSCTSLCTSK
SCHEMBL3014805 0.79 CTSS (0.63) CTSSCTSLCTSK
Benzene SCHEMBL4798873 0.79 CTSS (0.64) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 US claimed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 US claimed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US claimed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US claimed
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 US disclosed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 US disclosed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO 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 (2 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-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885
US-20070123523-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSL 11/4885CTSK 9/4885

“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.