SCHEMBL6199050

SCHEMBL6199050

CCOC(=O)C1CCCN(C(=O)/C=C/c2c(-c3ccccc3C(C)C)cc(Sc3cc(-c4ccccc4C(C)C)c(/C=C/C(=O)N4CCCC(C(=O)OCC)C4)c(F)c3F)c(F)c2F)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
ALDH1A1 P00352 7/20 0.51
MAPT P10636 1/20 0.51
GAA P10253 2/20 0.50
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6196634 0.90 HTT (0.54) HTTALDH1A1MAPTGAACYP2C19
SCHEMBL6200997 0.89 ITGAL (0.58) ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6218889 0.87 HTT (0.52) HTTALDH1A1MAPTGAACYP2C19
SCHEMBL6198875 0.83 ALDH1A1 (0.55) HTTALDH1A1MAPTGAACYP2C19
SCHEMBL6217433 0.83 HTT (0.56) HTTALDH1A1MAPTGAACYP2C19
SCHEMBL6196464 0.80 SMN1; SMN2 (0.53) ALDH1A1MAPTGAAKDM4EITGB2
SCHEMBL6197837 0.80 ITGAL (0.57) ITGB2ICAM1ITGALSMN1; SMN2NPC1
SCHEMBL6200778 0.78 ALDH1A1 (0.61) HTTALDH1A1MAPTGAACYP2C19
SCHEMBL6199715 0.78 ITGAL (0.57) HTTALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6196639 0.77 ITGB2 (0.66) HTTALDH1A1MAPTGAACYP2C19

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 11 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
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
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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 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 HTT 4028/4885ALDH1A1 484/4885MAPT 3667/4885

“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.