SCHEMBL5357429

SCHEMBL5357429

CS(=O)(=O)CC[C@H](N)CN1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 4/20 0.48
NOTUM Q6P988 1/20 0.44
NPY5R Q15761 1/20 0.43
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 5/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MGAT2 Q10469 1/20 0.37
KDM4A O75164 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 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
SCHEMBL5357052 0.88 NPY5R (0.46) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL5352710 0.78 NOTUM (0.48) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL905724 0.78 HTR2C (0.62) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL3024089 0.78 HTR2C (0.62) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL5363794 0.77 NOTUM (0.44) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL4795339 0.76 CTSS (0.60) CTSLCTSSCTSKNPY5R
SCHEMBL4795336 0.76 CTSS (0.60) CTSLCTSSCTSKNPY5R
SCHEMBL5352211 0.73 NOTUM (0.45) CTSLCTSSCTSKNOTUMNPY5R
SCHEMBL4800336 0.70 CTSS (0.72) CTSLCTSSCTSK
SCHEMBL12060492 0.70 NOTUM (0.53) NOTUMNPY5RHTR2CHTR2BHDAC1

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 CTSL 11/4885CTSS 1/4885CTSK 9/4885
US-20070123523-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSL 11/4885CTSS 1/4885CTSK 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.