SCHEMBL5523633

SCHEMBL5523633

O=C(O)C(CC1CCCCC1)C(=O)NCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.57
MMP3 P08254 7/20 0.57
CNR1 P21554 1/20 0.57
MMP1 P03956 6/20 0.56
MMP2 P08253 6/20 0.56
MMP8 P22894 4/20 0.55
EPHX2 P34913 3/20 0.55
KMT2A Q03164 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL4715141 0.92 EPHX2 (0.63) EPHX1MMP3MMP1MMP2EPHX2
SCHEMBL5520607 0.88 CTSK (0.55) EPHX1MMP3CNR1MMP1MMP2
SCHEMBL5520650 0.84 RAB9A (0.61) EPHX1CNR1MMP1MMP8EPHX2
SCHEMBL7355387 0.83 METAP2 (0.62) EPHX1MMP3CNR1MMP1MMP2
Hydrochloric Acid SCHEMBL7354348 0.82 METAP2 (0.61) EPHX1MMP3CNR1MMP1MMP2
SCHEMBL5528697 0.81 CTSK (0.57) EPHX1MMP3MMP1MMP2EPHX2
SCHEMBL4715413 0.80 MMP3 (0.54) MMP3MMP1MMP2EPHX2
SCHEMBL12932019 0.79 EPHX2 (0.84) EPHX1EPHX2KMT2A
SCHEMBL5526987 0.78 SMN1; SMN2 (0.53) MMP3EPHX2KMT2ACYP2C9
SCHEMBL7358712 0.78 EPHX2 (0.61) EPHX1MMP3MMP1MMP2EPHX2

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 EPHX1 2078/4885MMP3 88/4885CNR1 1771/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV EPHX1 4489/4885MMP3 34/4885CNR1 4036/4885

“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.