SCHEMBL6198053

SCHEMBL6198053

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(SC2COCC(Cc3ccccc3)O2)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.35
THRB P10828 1/20 0.34
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2B P41595 2/20 0.32
MAPK14 Q16539 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
CYP2D6 P10635 1/20 0.32
PAX8 Q06710 2/20 0.31
LTA4H P09960 1/20 0.31
CCR5 P51681 1/20 0.30
ALK Q9UM73 1/20 0.30

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
SCHEMBL6195211 0.90 CYP2C9 (0.37) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL6199878 0.85 MEN1 (0.34) RORCTMEM97SIGMAR1CYP2C9CYP2C19
SCHEMBL6196449 0.85 ITGB2 (0.37) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL6197803 0.83 ALDH1A1 (0.44) CYP2C9CYP2C19L3MBTL1GAAMAPT
SCHEMBL6198867 0.80 CYP2C9 (0.35) RORCCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6199368 0.79 HTT (0.43) THRBL3MBTL1MAPT
SCHEMBL6199292 0.79 KMT2A (0.38) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL6195993 0.78 FAAH (0.34) CYP2C9CYP2C19HTR2BMAPK14GAA
SCHEMBL6246667 0.76 CYP2C9 (0.36) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL6199462 0.75 ITGB2 (0.40) L3MBTL1GAAMAPT

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 RORC 350/4885THRB 4404/4885TMEM97 3865/4885

“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.