SCHEMBL4694832

SCHEMBL4694832

NC1CCCCC1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.49
SYK P43405 3/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.33

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
SCHEMBL5432996 1.00 F10 (0.49) F10SYKALDH1A1GAAMAPT
SCHEMBL14502379 0.85 F10 (0.49) F10ALDH1A1GAAMAPT
SCHEMBL4694829 0.84 F10 (0.51) F10SYKF2
SCHEMBL5435802 0.77 F10 (0.40) F10SYKF2
SCHEMBL5435797 0.77 F10 (0.40) F10SYKF2
SCHEMBL4691589 0.76 F10 (0.59) F10SYKALDH1A1
SCHEMBL5437725 0.74 F10 (0.73) F10F2
SCHEMBL14502108 0.74 F10 (0.73) F10F2
SCHEMBL4745666 0.74 F10 (0.73) F10F2
SCHEMBL4745664 0.74 F10 (0.73) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
JP-2006520790-A 2006-09-14 JP claimed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD F10 53/4885SYK 2461/4885ALDH1A1 3204/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 F10 36/4885SYK 2243/4885ALDH1A1 3153/4885

“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.