SCHEMBL4841610

SCHEMBL4841610

CC(C)COc1ccc(CC23CCCN2C(=O)N(c2cc(Cl)nc(Cl)c2)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
GHSR Q92847 2/20 0.33
FAAH O00519 1/20 0.32
XDH P47989 1/20 0.31
MAPT P10636 2/20 0.31
ALOX12 P18054 1/20 0.31
GAA P10253 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
TSHR P16473 1/20 0.31
TARBP2 Q15633 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL4845339 0.89 P2RX3 (0.36) P2RX3SMN1; SMN2LMNAMAPTTHRB
SCHEMBL4847341 0.83 LTA4H (0.36) LMNAMAPTALDH1A1THRB
SCHEMBL4839852 0.82 ITGAL (0.44) ITGB2ICAM1ITGAL
SCHEMBL4845635 0.82 ITGB2 (0.33) ITGB2ICAM1ITGAL
SCHEMBL4848463 0.82 HSD11B1 (0.37) SMN1; SMN2ALDH1A1TSHRITGB2ICAM1
SCHEMBL4839726 0.78 P2RX3 (0.35) P2RX3MEN1KMT2ALMNAMAPT
SCHEMBL16349444 0.78 ITGAL (0.35) LMNAALDH1A1TSHRITGB2ICAM1
SCHEMBL4847608 0.76 ITGAL (0.41) ITGB2ICAM1ITGAL
SCHEMBL4841565 0.76 ITGAL (0.41) ITGB2ICAM1ITGAL
SCHEMBL4841669 0.74 ITGB2 (0.32) ITGB2ICAM1ITGAL

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 6 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

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 2196/4885SMN1; SMN2 1791/4885MEN1 2408/4885

“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.