SCHEMBL6200022

SCHEMBL6200022

C=C(C(=O)N1CCCCC1C(=O)O)c1ccc(SC2COCC(Cc3ccccc3)O2)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 1/20 0.34
DGAT1 O75907 1/20 0.33
FKBP1A P62942 8/20 0.33
LTA4H P09960 3/20 0.32
ACE P12821 2/20 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
SCHEMBL6197942 0.85 FKBP1A (0.33) CYP2C9CYP2C19HTR2BMAPK14DGAT1
SCHEMBL6197611 0.78 TSHR (0.34) FKBP1ALTA4HACE
SCHEMBL6197104 0.77 KDM4E (0.40) FKBP1A
SCHEMBL6199130 0.76 SMN1; SMN2 (0.40) LTA4H
SCHEMBL6199354 0.71 ITGB2 (0.32) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6246667 0.71 CYP2C9 (0.36) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6196884 0.70 CYP2C9 (0.37) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6196669 0.70 L3MBTL3 (0.37) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6200024 0.70 ITGB2 (0.37)
SCHEMBL6196754 0.70 ITGB2 (0.37) 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 6 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 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
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP 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 CYP2C9 4043/4885CYP2C19 3779/4885HTR2B 3342/4885

“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.