SCHEMBL4479512

SCHEMBL4479512

CC(C)(C)[Si](C)(C)OC1CCCN(c2ccc(I)cc2F)C1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.42
MCHR1 Q99705 2/20 0.33
FPR2 P25090 2/20 0.32

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
SCHEMBL4485299 0.79 F10 (0.41) F10FPR2
SCHEMBL2994186 0.77 MCHR1 (0.36) MCHR1
SCHEMBL4490491 0.74 F10 (0.36) F10FPR2
SCHEMBL6367611 0.70 MAP2K1 (0.37) F10MCHR1FPR2
SCHEMBL6367615 0.70 MAP2K1 (0.37) F10MCHR1FPR2
SCHEMBL6362578 0.68 CYP3A4 (0.39) F10
Hydrochloric Acid SCHEMBL6362517 0.67 CYP3A4 (0.38) F10
SCHEMBL6366622 0.67 HRH3 (0.36) F10MCHR1
SCHEMBL13958541 0.67 FPR2 (0.40) F10FPR2
SCHEMBL4508161 0.66 F10 (0.35) F10MCHR1

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 7 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
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 F10 38/4885MCHR1 4701/4885FPR2 3867/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 F10 31/4885MCHR1 4555/4885FPR2 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.