SCHEMBL6196669

SCHEMBL6196669

C=C(C(=O)N1CCC(N2CCCC2)CC1)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.37
L3MBTL1 Q9Y468 9/20 0.37
MBTD1 Q05BQ5 4/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
TP53BP1 Q12888 3/20 0.36
CHRM1 P11229 3/20 0.35
HDAC4 P56524 1/20 0.34
ALOX15 P16050 1/20 0.33
RBP4 P02753 1/20 0.33
TACR1 P25103 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL4 Q8NA19 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 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
SCHEMBL6196884 0.90 CYP2C9 (0.37) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6198867 0.88 CYP2C9 (0.35) CYP2C9CYP2C19HTR2BMAPK14HDAC4
SCHEMBL6196025 0.87 CYP2C9 (0.36) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6196754 0.86 ITGB2 (0.37) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6200681 0.86 MEN1 (0.34) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6197942 0.85 FKBP1A (0.33) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6198649 0.84 STS (0.39) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6198455 0.82 ALDH1A1 (0.42) CYP2C9CYP2C19
SCHEMBL6197686 0.80 RHOA (0.35) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6199354 0.79 ITGB2 (0.32) CYP2C9CYP2C19HTR2BMAPK14

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
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

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 L3MBTL3 3066/4885L3MBTL1 2584/4885MBTD1 1679/4885

“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.