SCHEMBL4474074

SCHEMBL4474074

CC(=O)OC1CCNC(=O)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.32
KDM1A O60341 1/20 0.32
CYP17A1 P05093 1/20 0.32
DPP4 P27487 1/20 0.32
CHRM2 P08172 7/20 0.31
CHRM1 P11229 5/20 0.31
CHRM4 P08173 4/20 0.31
CHRM3 P20309 4/20 0.31
CHRM5 P08912 2/20 0.31
ALDH2 P05091 1/20 0.31
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
CYP2D6 P10635 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
SCHEMBL22635868 0.81 ATM (0.34) KMT2A
SCHEMBL18472040 0.81 POLB (0.34) TDP1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL21026696 0.81 POLB (0.34) TDP1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL3744381 0.81 POLB (0.34) TDP1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL15893898 0.76
SCHEMBL18995286 0.76
SCHEMBL19338318 0.76
SCHEMBL630437 0.76 CRBN (0.44) TDP1CYP3A4CYP2C9CYP2C19POLB
SCHEMBL22253150 0.73 TSHR (0.36)
SCHEMBL12070047 0.73

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
CN-103917545-A BTK inhibitors MERCK SHARP & DOHME 2014-07-09 CN disclosed
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
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 TDP1 2837/4885CYP3A4 1134/4885CYP2C9 591/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 TDP1 2241/4885CYP3A4 999/4885CYP2C9 641/4885

“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.