SCHEMBL6196754

SCHEMBL6196754

C=C(C(=O)N1CCC[C@@H](C(=O)O)C1)c1ccc(SC2COCC(Cc3ccccc3)O2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 6/20 0.37
ICAM1 P05362 6/20 0.37
ITGAL P20701 6/20 0.37
SLC6A1 P30531 5/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
RHOA P61586 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL6196025 0.95 CYP2C9 (0.36) ITGB2ICAM1ITGALCYP2C9CYP2C19
SCHEMBL6198455 0.91 ALDH1A1 (0.42) KDM4ECYP2C9CYP2C19POLB
SCHEMBL6196884 0.91 CYP2C9 (0.37) ITGB2ICAM1ITGALCYP2C9CYP2C19
SCHEMBL6197686 0.89 RHOA (0.35) CYP2C9CYP2C19HTR2BMAPK14RHOA
SCHEMBL6202732 0.89 L3MBTL1 (0.37) ITGB2ICAM1ITGALSLC6A1KDM4E
SCHEMBL6199516 0.86 KDM4E (0.36) KDM4ECYP2C19RHOALMNAPOLB
SCHEMBL6198867 0.86 CYP2C9 (0.35) ITGB2ICAM1ITGALCYP2C9CYP2C19
SCHEMBL6196669 0.86 L3MBTL3 (0.37) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL6197942 0.84 FKBP1A (0.33) ITGB2ICAM1ITGALCYP2C9CYP2C19
SCHEMBL6200681 0.84 MEN1 (0.34) ITGB2ICAM1ITGALCYP2C9CYP2C19

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 ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.