SCHEMBL6201628

SCHEMBL6201628

C=C(C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(Sc2cccc(N3CCOCC3)c2)c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.47
TSHR P16473 3/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6197601 0.88 ITGAL (0.44) ITGB2ICAM1ITGALCYP2C19
SCHEMBL6317504 0.87 LGMN (0.44) LGMNTSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL6315904 0.86 SMN1; SMN2 (0.45) TSHRALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL6311315 0.84 ITGAL (0.42) ITGB2ICAM1ITGAL
SCHEMBL6568425 0.83 ITGB2 (0.57) LGMNITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL6198216 0.80 KMO (0.39) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6200064 0.79 KMO (0.44) ITGB2ICAM1ITGALALDH1A1MEN1
SCHEMBL6196585 0.79 ITGB2 (0.53) TSHRITGB2ICAM1ITGALALDH1A1
SCHEMBL6317373 0.79 NOTUM (0.39) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL6318322 0.79 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10SMN1; SMN2MEN1

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 5 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-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 LGMN 2487/4885TSHR 4775/4885ITGB2 32/4885

“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.