SCHEMBL5523092

SCHEMBL5523092

COc1ccccc1CNC(=O)C(CC1CCCCC1)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 4/20 0.55
ALDH1A1 P00352 3/20 0.54
F2RL1 P55085 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL5522927 0.87 MEN1 (0.55) MEN1KMT2AHPGDALDH1A1F2RL1
SCHEMBL15831228 0.74 ALDH1A1 (0.75) MEN1KMT2AHPGDALDH1A1TSHR
Acetic Acid SCHEMBL11160294 0.73 SMN1; SMN2 (0.53) MEN1KMT2AHPGDPOLBCYP2C9
SCHEMBL5534127 0.72 CHRNB2 (0.50) MEN1KMT2AF2RL1
SCHEMBL5524103 0.72 POLB (0.54) MEN1KMT2AALDH1A1F2RL1POLB
SCHEMBL7357152 0.72 METAP2 (0.61) HPGD
SCHEMBL5523069 0.72 CTSS (0.63) HPGDF2RL1
SCHEMBL5526956 0.72 EPHX1 (0.47) MEN1KMT2AALDH1A1TSHR
SCHEMBL5520650 0.71 RAB9A (0.61) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL28750599 0.71 HPGD (0.56) MEN1KMT2AHPGDALDH1A1LMNA

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 MEN1 4485/4885KMT2A 4623/4885HPGD 1645/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV MEN1 3967/4885KMT2A 4281/4885HPGD 924/4885

“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.