SCHEMBL4477804

SCHEMBL4477804

NC1CCN(c2ccc(-n3ccccc3=O)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
HRH4 Q9H3N8 1/20 0.36
PIM1 P11309 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL4475723 0.91 F10 (0.45) F10
SCHEMBL8327057 0.91 F10 (0.45) F10
SCHEMBL7933807 0.82 MEN1 (0.50) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL7927546 0.82 MEN1 (0.50) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL5193387 0.82 MEN1 (0.50) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL6385217 0.80 MEN1 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL7933721 0.80 MEN1 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL4477802 0.80 F10 (0.42) F10SYK
SCHEMBL4486077 0.77 F10 (0.45) F10
SCHEMBL14275582 0.76 HDAC6 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 11 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 claimed
EP-1501798-A4 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-11-22 EP claimed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US claimed
EP-1501798-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-02 EP claimed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 WO claimed
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

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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 F10 38/4885HRH4 3810/4885PIM1 1418/4885

“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.