SCHEMBL5525522

SCHEMBL5525522

O=C(O)C(CC1CCCCC1)C(=O)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.54
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 2/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL5532544 0.89 NPY5R (0.66) NPY5RHPGDALDH1A1HTTMETAP2
SCHEMBL5524199 0.88 CTSS (0.50) NPY5RHPGDALDH1A1HTTMETAP2
SCHEMBL5526419 0.85 EPHX2 (0.59) NPY5RHPGDMETAP2METAP1POLB
SCHEMBL7358037 0.84 METAP2 (0.70) NPY5RHPGDALDH1A1HTTMETAP2
Hydrochloric Acid SCHEMBL7353872 0.84 METAP2 (0.69) NPY5RHPGDALDH1A1HTTMETAP2
SCHEMBL5532684 0.80 PARP1 (0.53) ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL5523345 0.77 NPY5R (0.60) NPY5RHPGDALDH1A1HTTMETAP2
SCHEMBL3999277 0.76 F10 (0.50) METAP2METAP1EPHX2CTSL
SCHEMBL5528440 0.75 FPR2 (0.61) ALDH1A1HTTPOLBEPHX2PKM
SCHEMBL7356285 0.74 METAP2 (0.71) NPY5RALDH1A1HTTMETAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE NPY5R 3955/4885HPGD 1645/4885ALDH1A1 4046/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV NPY5R 4647/4885HPGD 924/4885ALDH1A1 3396/4885

“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.