SCHEMBL5520558

SCHEMBL5520558

COc1ccc(CNC(=O)C(CC2CCCCC2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 1/20 0.55
KLKB1 P03952 1/20 0.48
EPHX2 P34913 2/20 0.48
LDHA P00338 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5520633 0.90 CPB2 (0.55) CPB2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5520650 0.84 RAB9A (0.61) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL7355228 0.82 METAP2 (0.68) CPB2SMN1; SMN2NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7360613 0.81 METAP2 (0.67) CPB2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7793120 0.81 EPHX2 (0.54) CPB2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL5520883 0.81 MAPT (0.54) CPB2NPC1RAB9AALDH1A1CYP3A4
SCHEMBL5528540 0.80 EPHX1 (0.58) CPB2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26616875 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KMT2AEPHX2
SCHEMBL3203204 0.77 CPB2 (1.00) CPB2CYP3A4
SCHEMBL3203178 0.77 CPB2 (1.00) CPB2CYP3A4

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 CPB2 66/4885SMN1; SMN2 3350/4885NPC1 37/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CPB2 269/4885SMN1; SMN2 44/4885NPC1 1596/4885

“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.