SCHEMBL4480037

SCHEMBL4480037

O=C(NC1CCCN(c2ccc(C3(C(=O)O)CC3)cc2)C1=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
CASP1 P29466 3/20 0.43
FPR2 P25090 5/20 0.42
FPR1 P21462 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
PREP P48147 2/20 0.40

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
SCHEMBL13887434 1.00 CASP3 (0.45) CASP3CASP1FPR2FPR1ALDH1A1
SCHEMBL4487001 0.88 FPR2 (0.53) CASP3CASP1FPR2FPR1
SCHEMBL4489323 0.85 FPR2 (0.55) CASP3FPR2FPR1
SCHEMBL8327055 0.85 CASP3 (0.49) CASP3CASP1FPR2FPR1ALDH1A1
SCHEMBL8326106 0.82 CASP3 (0.47) CASP3CASP1FPR2FPR1ALDH1A1
SCHEMBL4338889 0.79 CCR1 (0.48) CASP3FPR2FPR1ALDH1A1GAA
SCHEMBL4472817 0.78 F10 (0.43) CASP3CASP1FPR2FPR1CTSL
SCHEMBL14601912 0.78 F10 (0.43) CASP3CASP1FPR2FPR1CTSL
SCHEMBL5179660 0.76 CTSL (0.51) CASP3FPR2FPR1ALDH1A1GAA
SCHEMBL13043811 0.76 CASP3 (0.53) CASP3CASP1ALDH1A1GAACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO disclosed
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 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 (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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 CASP3 1131/4885CASP1 289/4885FPR2 3867/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 CASP3 1375/4885CASP1 151/4885FPR2 3872/4885

“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.