SCHEMBL6201623

SCHEMBL6201623

CCOC(=O)C1CCN(C(=O)/C=C/c2c(-c3cccc(N4CCOCC4)c3)cc(Sc3cc(-c4cccc(N5CCOCC5)c4)c(/C=C/C(=O)N4CCC(C(=O)OCC)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
LGMN Q99538 1/20 0.45
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ITGAL P20701 4/20 0.43
ITGB2 P05107 3/20 0.43
ICAM1 P05362 3/20 0.43
ENPP2 Q13822 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
JMJD6 Q6NYC1 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6197595 0.88 ITGAL (0.46) RAB9APOLBITGALITGB2ICAM1
SCHEMBL6317511 0.87 LGMN (0.43) RAB9ASMN1; SMN2NPC1LGMNPOLB
SCHEMBL6315906 0.86 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL6311336 0.85 POLB (0.44) RAB9APOLBITGALITGB2ICAM1
SCHEMBL6568425 0.81 ITGB2 (0.57) RAB9ASMN1; SMN2NPC1LGMNPOLB
SCHEMBL6317367 0.80 TDP1 (0.47) RAB9ASMN1; SMN2KDM4EITGALITGB2
SCHEMBL6198997 0.80 RAB9A (0.47) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL6198213 0.80 PRKDC (0.45) SMN1; SMN2POLBKDM4EITGALITGB2
SCHEMBL6309507 0.80 ITGAL (0.46) RAB9AITGALITGB2ICAM1
SCHEMBL6318327 0.80 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1POLBKDM4E

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 4 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
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 RAB9A 2366/4885SMN1; SMN2 3657/4885NPC1 1382/4885

“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.