SCHEMBL5524199

SCHEMBL5524199

N#CCNC(=O)C(CC1CCCCC1)C(=O)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSK P43235 3/20 0.50
CTSB P07858 1/20 0.50
NPY5R Q15761 1/20 0.49
HPGD P15428 1/20 0.45
USP30 Q70CQ3 2/20 0.45
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
MITF O75030 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
DRD2 P14416 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL5523345 0.91 NPY5R (0.60) CTSSCTSLCTSKCTSBNPY5R
SCHEMBL5525522 0.88 NPY5R (0.54) CTSSCTSLNPY5RHPGDMETAP2
SCHEMBL5526343 0.88 CTSK (0.60) CTSSCTSLCTSKCTSBNPY5R
SCHEMBL5526426 0.83 CTSK (0.53) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL5520618 0.79 FPR2 (0.53) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL5528965 0.78 CTSL (0.79) CTSSCTSLCTSKCTSBPKM
SCHEMBL7358037 0.78 METAP2 (0.70) NPY5RHPGDMETAP2METAP1ALDH1A1
SCHEMBL5532544 0.78 NPY5R (0.66) CTSSCTSLNPY5RHPGDMETAP2
Hydrochloric Acid SCHEMBL7353872 0.77 METAP2 (0.69) NPY5RHPGDMETAP2METAP1ALDH1A1
SCHEMBL5526359 0.77 CTSK (0.60) CTSSCTSLCTSKCTSBMETAP2

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-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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 (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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSS 2/4885CTSL 19/4885CTSK 14/4885

“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.