SCHEMBL4849155

SCHEMBL4849155

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.38
GCGR P47871 2/20 0.37
LMNA P02545 1/20 0.36
DDR1 Q08345 3/20 0.36
IDH1 O75874 7/20 0.35
KCNN3 Q9UGI6 1/20 0.35
TEAD1 P28347 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LIPE Q05469 2/20 0.34
METAP2 P50579 1/20 0.34

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
SCHEMBL4844861 0.93 METAP2 (0.39) SMPD3GCGRDDR1TEAD1LIPE
SCHEMBL6477360 0.92 GCGR (0.35) GCGRIDH1KCNN3TEAD1LIPE
SCHEMBL4845087 0.91 GCGR (0.36) GCGRIDH1PPARDPPARALIPE
SCHEMBL6478251 0.91 LIPE (0.37) GCGRIDH1KCNN3TEAD1PPARD
SCHEMBL4845094 0.90 LIPE (0.36) GCGRIDH1PPARDPPARALIPE
SCHEMBL4848881 0.90 GCGR (0.38) GCGRIDH1LIPE
SCHEMBL6478087 0.89 GCGR (0.36) GCGRIDH1KCNN3PPARDPPARA
SCHEMBL4850936 0.88 F2R (0.43) GCGRIDH1KCNN3LIPE
SCHEMBL6488797 0.88 CCR2 (0.36) GCGRLMNAIDH1PPARDPPARA
SCHEMBL6487042 0.88 FPR2 (0.33) GCGRIDH1PPARDPPARALIPE

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 3 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

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 SMPD3 955/4885GCGR 3730/4885LMNA 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.