SCHEMBL6201492

SCHEMBL6201492

C=C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
TACR1 P25103 2/20 0.33
ROCK2 O75116 1/20 0.33
SFRP1 Q8N474 2/20 0.32
NR1H2 P55055 3/20 0.32
NR1H3 Q13133 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
MCL1 Q07820 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP1 P09874 1/20 0.31
USP30 Q70CQ3 2/20 0.31
CCR3 P51677 1/20 0.31
ALK Q9UM73 2/20 0.31
BRD4 O60885 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL6197040 0.95 MEN1 (0.31)
SCHEMBL6199442 0.91 MEN1 (0.31)
SCHEMBL6199354 0.91 ITGB2 (0.32) MCL1
SCHEMBL6198826 0.87 MEN1 (0.31) MCL1
SCHEMBL6200564 0.86 ITGB2 (0.32)
SCHEMBL6200681 0.86 MEN1 (0.34) ALK
SCHEMBL6198867 0.82 CYP2C9 (0.35)
SCHEMBL6197104 0.81 KDM4E (0.40)
SCHEMBL6197942 0.81 FKBP1A (0.33)
SCHEMBL6198126 0.79 ALDH1A1 (0.37)

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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ABHD6 2170/4885DAGLA 3389/4885TACR1 511/4885

“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.