SCHEMBL4839726

SCHEMBL4839726

CCOc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)nc(Cl)c2)C3=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.35
GRM4 Q14833 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 2/20 0.33
PPOX P50336 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 3/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL4839852 0.79 ITGAL (0.44)
SCHEMBL5203833 0.79 ITGB2 (0.50) P2RX3MAPK1ALDH1A1PTGS2PTGS1
SCHEMBL4845339 0.78 P2RX3 (0.36) P2RX3LMNAMAPK1HTTMAPT
SCHEMBL4848463 0.76 HSD11B1 (0.37) ALDH1A1TSHR
SCHEMBL4847341 0.74 LTA4H (0.36) GRM4LMNAALDH1A1MAPT
SCHEMBL4847608 0.73 ITGAL (0.41)
SCHEMBL4841565 0.73 ITGAL (0.41)
SCHEMBL16349444 0.73 ITGAL (0.35) LMNAALDH1A1HTTTSHR
SCHEMBL4841707 0.69 ITGAL (0.55)
SCHEMBL4846983 0.69 ITGAL (0.42) PTGS2PTGS1

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 8 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-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
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
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 P2RX3 2196/4885GRM4 4126/4885LMNA 482/4885

“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.