SCHEMBL4627714

SCHEMBL4627714

CC(C)S(=O)(=O)N1CCC(N2CCC(C(N)=O)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.39
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
POLB P06746 1/20 0.34
FAAH O00519 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY5R Q15761 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 1/20 0.31
PARP1 P09874 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
F12 P00748 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5379932 0.80 CYP3A4 (0.40) EPHX2IKBKBCHUKPOLBFAAH
SCHEMBL4626252 0.80 PARP2 (0.46) ALDH1A1HRH3PARP1PARP2MEN1
SCHEMBL4627866 0.77 OPRL1 (0.40) MEN1KMT2A
SCHEMBL4761029 0.77 PARP2 (0.49) ALDH1A1PARP1PARP2KMT2ASMN1; SMN2
SCHEMBL5368548 0.74 SMN1; SMN2 (0.51) CHRM1PARP1PARP2MEN1KMT2A
SCHEMBL4728819 0.73 EPHX2 (0.56) EPHX2POLBALDH1A1SMN1; SMN2
SCHEMBL5376556 0.73 PARP2 (0.44) PARP1PARP2
SCHEMBL4654387 0.72 PARP1 (0.44) ALDH1A1HRH3PARP1PARP2MEN1
SCHEMBL5376874 0.71 MEN1 (0.33) MEN1KMT2A
SCHEMBL5381512 0.71 PARP2 (0.46) PARP1PARP2

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 10 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 claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
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
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 EPHX2 3811/4885IKBKB 95/4885CHUK 66/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 EPHX2 3811/4885IKBKB 95/4885CHUK 66/4885

“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.