SCHEMBL5263532

SCHEMBL5263532

COC(=O)[C@@H](N)Cc1ccc(-c2ccccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
MME P08473 1/20 0.55
MMEL1 Q495T6 1/20 0.55
ITGA4 P13612 16/20 0.54
ITGB7 P26010 8/20 0.54
ALDH1A1 P00352 1/20 0.51
ITGB1 P05556 13/20 0.51
TPH1 P17752 1/20 0.49

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
SCHEMBL7410313 1.00 PPARG (0.55) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL5787820 1.00 PPARG (0.55) PPARGPPARAMMEMMEL1ITGA4
Hydrochloric Acid SCHEMBL5263529 0.99 PPARG (0.54) PPARGPPARAMMEMMEL1ITGA4
Hydrochloric Acid SCHEMBL5263533 0.99 PPARG (0.54) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL5213839 0.88 PPARG (0.63) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL7227938 0.88 PPARG (0.63) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL31398354 0.88 PPARG (0.63) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL3972225 0.87 FFAR4 (0.51) PPARGPPARAMMEMMEL1ITGA4
SCHEMBL3975543 0.87 FFAR4 (0.51) PPARGPPARAMMEMMEL1ITGA4
Hydrochloric Acid SCHEMBL3995533 0.86 FFAR4 (0.50) PPARGPPARAMMEMMEL1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 US disclosed
EP-1383750-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2004-01-28 EP disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 WO disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 WO disclosed
EP-0660840-B1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA GEIGY AG (CH) 1997-05-07 EP disclosed
WO-1996026729-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES AS ECE INHIBITORS CIBA-GEIGY AG (CH) 1996-09-06 WO disclosed
US-5550119-A ENDOTHELIN-CONVERTING ENZYM INHIBITORS CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0660840-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES. CIBA GEIGY AG (CH) 1995-07-05 EP disclosed
WO-1994005677-A1 PHOSPHONO SUBSTITUTED TETRAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 WO disclosed
US-5250522-A Neutral endopeptidase inhibitors; cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1993-10-05 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 (3 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-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 PPARG 3385/4885PPARA 3302/4885MME 3102/4885
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 PPARG 2397/4885PPARA 3460/4885MME 2889/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 PPARG 3240/4885PPARA 3896/4885MME 2052/4885

“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.