SCHEMBL14337553

SCHEMBL14337553

CN1CCC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
CTSK P43235 6/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 1/20 0.52
CASP1 P29466 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CTSS P25774 2/20 0.48
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
NAAA Q02083 1/20 0.48

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
SCHEMBL13043811 1.00 CASP3 (0.53) CASP3CTSKCTSLCTSBCASP1
SCHEMBL14601914 0.93 CTSK (0.54) CASP3CTSKCTSLCTSBCASP1
SCHEMBL13043801 0.93 CTSK (0.54) CASP3CTSKCTSLCTSBCASP1
SCHEMBL33525492 0.85 ALDH1A1 (0.50) CASP3CTSKCTSLCTSBCASP1
SCHEMBL21111192 0.85 CPB1 (0.49) CASP3CTSKCTSLCTSBALDH1A1
SCHEMBL6199732 0.84 CASP3 (0.60) CASP3CTSKCTSLCTSBCASP1
SCHEMBL5650545 0.83 CASP3 (0.64) CASP3CTSKCTSLCTSBCASP1
SCHEMBL14641301 0.83 CASP3 (0.64) CASP3CTSKCTSLCTSBCASP1
SCHEMBL14603133 0.83 CASP3 (0.64) CASP3CTSKCTSLCTSBCASP1
SCHEMBL14603128 0.83 CASP3 (0.61) CASP3CTSKCTSLCASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US 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 (1 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 CASP3 1380/4885CTSK 280/4885CTSL 133/4885

“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.