SCHEMBL5526419

SCHEMBL5526419

O=C(O)C(CC1CCCCC1)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
EPHX1 P07099 2/20 0.56
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTR1E P28566 1/20 0.52
KMT2A Q03164 1/20 0.52
S1PR3 Q99500 1/20 0.52
KLK7 P49862 2/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
NPY5R Q15761 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
POLB P06746 2/20 0.47
CCKBR P32239 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 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
SCHEMBL5532544 0.88 NPY5R (0.66) EPHX2EPHX1MEN1LMNAMAPT
SCHEMBL5528440 0.85 FPR2 (0.61) EPHX2RAB9ASMN1; SMN2POLBFPR2
SCHEMBL5525522 0.85 NPY5R (0.54) EPHX2EPHX1MAPTHPGDNPY5R
SCHEMBL5526277 0.85 PARP15 (0.47) EPHX2EPHX1KMT2AHPGDNPY5R
SCHEMBL5526343 0.84 CTSK (0.60) EPHX2EPHX1MEN1LMNAMAPT
SCHEMBL5532684 0.83 PARP1 (0.53) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL29269296 0.81 KMT2A (0.58) EPHX2EPHX1MEN1LMNAMAPT
SCHEMBL7354371 0.80 METAP2 (0.70) EPHX2EPHX1KLK7METAP2METAP1
SCHEMBL29269301 0.79 KMT2A (0.60) EPHX2EPHX1MEN1LMNAMAPT
SCHEMBL5520650 0.79 RAB9A (0.61) EPHX2EPHX1MEN1LMNAKMT2A

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 EPHX2 1851/4885EPHX1 2078/4885MEN1 4485/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV EPHX2 4537/4885EPHX1 4489/4885MEN1 3967/4885

“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.