SCHEMBL4691589

SCHEMBL4691589

NC1CCCCC1NS(=O)(=O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.59
ALDH1A1 P00352 4/20 0.44
MCOLN2 Q8IZK6 4/20 0.44
MCOLN1 Q9GZU1 4/20 0.44
MCOLN3 Q8TDD5 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
SYK P43405 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4742033 0.84 F10 (0.60) F10
SCHEMBL6055248 0.80 ALDH1A1 (0.65) ALDH1A1MCOLN2MCOLN1MCOLN3NPSR1
SCHEMBL14455217 0.80 ALDH1A1 (0.65) ALDH1A1MCOLN2MCOLN1MCOLN3NPSR1
SCHEMBL5796406 0.80 ALDH1A1 (0.65) ALDH1A1MCOLN2MCOLN1MCOLN3NPSR1
SCHEMBL5432928 0.77 F10 (0.55) F10SYK
SCHEMBL5432996 0.76 F10 (0.49) F10ALDH1A1SYK
SCHEMBL4747820 0.76 F10 (0.74) F10
SCHEMBL4694832 0.76 F10 (0.49) F10ALDH1A1SYK
SCHEMBL5430216 0.74 SMN1; SMN2 (0.50) ALDH1A1MCOLN3NPSR1MMP2MMP9
SCHEMBL419813 0.74 ALDH1A1 (0.62) ALDH1A1MCOLN2MCOLN1MCOLN3NPSR1

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
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US claimed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
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
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (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 53/4885ALDH1A1 3204/4885MCOLN2 3645/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 F10 36/4885ALDH1A1 3153/4885MCOLN2 3968/4885

“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.