SCHEMBL6197942

SCHEMBL6197942

C=C(C(=O)N1CCCCC1C(=O)O)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
MAPK14 Q16539 1/20 0.33
LTA4H P09960 3/20 0.32
AGTR2 P50052 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
DGAT1 O75907 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ACE P12821 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
SCHEMBL6197104 0.91 KDM4E (0.40) FKBP1AMEN1KMT2A
SCHEMBL6197611 0.89 TSHR (0.34) FKBP1ALTA4HAGTR2MEN1KMT2A
SCHEMBL6199130 0.87 SMN1; SMN2 (0.40) LTA4HMEN1LMNAKMT2A
SCHEMBL6199354 0.86 ITGB2 (0.32) CYP2C9CYP2C19HTR2BMAPK14MEN1
SCHEMBL6196884 0.85 CYP2C9 (0.37) CYP2C9CYP2C19HTR2BMAPK14MEN1
SCHEMBL6196669 0.85 L3MBTL3 (0.37) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6200022 0.85 CYP2C9 (0.34) FKBP1ACYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6196754 0.84 ITGB2 (0.37) CYP2C9CYP2C19HTR2BMAPK14LMNA
SCHEMBL6196025 0.84 CYP2C9 (0.36) CYP2C9CYP2C19HTR2BMAPK14MEN1
SCHEMBL6198867 0.84 CYP2C9 (0.35) CYP2C9CYP2C19HTR2BMAPK14MEN1

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 13 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
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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 FKBP1A 2352/4885CYP2C9 4043/4885CYP2C19 3779/4885

“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.