SCHEMBL5265258

SCHEMBL5265258

CN1CCN(C(=O)Oc2ccc(CC(NC(=O)Nc3ccccc3S(=O)(=O)c3ccccc3)C(=O)O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.59
ITGA4 P13612 9/20 0.59
ITGB7 P26010 9/20 0.59
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
CTSB P07858 2/20 0.44
FPR2 P25090 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
YAP1 P46937 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL5265251 1.00 ITGB1 (0.59) ITGB1ITGA4ITGB7ALDH1A1ALOX15
SCHEMBL6642120 0.96 ITGB1 (0.55) ITGB1ITGA4ITGB7ALDH1A1ALOX15
SCHEMBL5264458 0.93 ITGB1 (0.51) ITGB1ITGA4ITGB7CTSBCTSL
SCHEMBL5264453 0.93 ITGB1 (0.51) ITGB1ITGA4ITGB7CTSBCTSL
SCHEMBL5257606 0.82 ALDH1A1 (0.48) ITGB1ITGA4ALDH1A1ALOX15FPR2
SCHEMBL5259281 0.82 ALDH1A1 (0.48) ITGB1ITGA4ALDH1A1ALOX15FPR2
SCHEMBL5262214 0.78 ITGA4 (0.49) ITGB1ITGA4ALDH1A1ALOX15FPR2
SCHEMBL5265844 0.78 ITGA4 (0.49) ITGB1ITGA4ALDH1A1ALOX15FPR2
SCHEMBL2059183 0.76 ITGB3 (0.70) ITGB1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL21689926 0.76 ITGB1 (0.66) ITGB1ITGA4ITGB7ITGB3ITGA2B

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
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP claimed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US claimed
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
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
WO-2002057242-A2 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL PRODESFARMA, S.A. (ES) 2002-07-25 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 (2 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 ITGB1 4/4885ITGA4 1/4885ITGB7 14/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 ITGB1 5/4885ITGA4 2/4885ITGB7 3/4885

“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.