Sugi Predict

Sugi Predict / Compounds / SCHEMBL4841580

SCHEMBL4841580

SCHEMBL4841580

NC(=O)[C@H]1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@]2(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.39
▸ GRIN2B Q13224 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ GCGR P47871 2/20 0.34
▸ HCRTR1 O43613 3/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ AMPD2 Q01433 1/20 0.34
▸ LIPE Q05469 4/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ TEAD1 P28347 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL6478244 0.92 KCNN3 (0.34) METAP2HTR2CGCGRHCRTR1HCRTR2
SCHEMBL4848499 0.89 SCN9A (0.42) METAP2SCN9AHTR2CGCGRHCRTR1
SCHEMBL4848356 0.89 METAP2 (0.37) METAP2SCN9AHTR2CGCGRHCRTR1
SCHEMBL14254856 0.87 METAP2 (0.39) METAP2GRIN2BSCN9AHTR2CHCRTR1
SCHEMBL6489587 0.87 METAP2 (0.37) METAP2GRIN2BSCN9AHCRTR1HCRTR2
SCHEMBL4841746 0.87 METAP2 (0.39) METAP2GRIN2BSCN9AHTR2CHCRTR1
SCHEMBL4885451 0.87 EPHX2 (0.38) METAP2SCN9A
SCHEMBL4847278 0.85 SCN9A (0.38) METAP2SCN9AHTR2CLIPELMNA
SCHEMBL4841756 0.83 CHRM4 (0.37) METAP2SCN9AGCGRLIPETEAD1
SCHEMBL4844861 0.83 METAP2 (0.39) METAP2SCN9AGCGRHCRTR1HCRTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 — — US claimed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 — — EP claimed
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

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 METAP2 1571/4885GRIN2B 743/4885SCN9A 143/4885

“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.