SCHEMBL4845083

SCHEMBL4845083

COC(=O)/C=C/c1ccccc1-c1ccc(CC23CCCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
NR1H4 Q96RI1 6/20 0.33
ITGB1 P05556 3/20 0.33
ITGA4 P13612 3/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
METAP2 P50579 1/20 0.33
AKT1 P31749 2/20 0.32
AKT2 P31751 1/20 0.32
ACHE P22303 1/20 0.32
ITGB7 P26010 2/20 0.32
PTGER1 P34995 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 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
SCHEMBL4845091 1.00 PRKDC (0.38) PRKDCATML3MBTL1CCNCCDK8
SCHEMBL4847245 0.85 ACHE (0.46) ACHE
SCHEMBL4846595 0.84 NR1H4 (0.44) PRKDCNR1H4
SCHEMBL4845247 0.82 REN (0.34) CCNCCDK8ITGB1ITGA4ITGB2
SCHEMBL4848531 0.81 AGTR1 (0.44)
SCHEMBL4843286 0.81 FPR1 (0.35) ITGB2ICAM1ITGALMETAP2
SCHEMBL4848901 0.80 MEN1 (0.38) ITGB2ICAM1ITGAL
SCHEMBL4841624 0.80 ITGAL (0.35) ITGB2ICAM1ITGALMETAP2
SCHEMBL4844697 0.79 PTGER4 (0.40) METAP2PTGER1PTGER3PTGER2
SCHEMBL4845206 0.78 GRM2 (0.40) ITGB1ITGA4ITGB2ICAM1ITGAL

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-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 PRKDC 4032/4885ATM 4817/4885L3MBTL1 812/4885

“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.