SCHEMBL1487417

SCHEMBL1487417

O=C(NCc1ccccc1)NCC(NC(=O)C1COCN1S(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 1.00
ITGA2 P17301 7/20 1.00
ITGA4 P13612 2/20 0.62
ITGA5 P08648 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
FKBP1A P62942 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL1487410 0.85 ITGB1 (0.75) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL8239058 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL4255594 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL12084502 0.85 ITGB1 (0.83) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL4260019 0.84 ITGB1 (0.79) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL12084791 0.84 ITGB1 (0.79) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL1487450 0.83 ITGB1 (0.71) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL4249877 0.83 ITGB1 (0.71) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL12084795 0.83 ITGB1 (0.71) ITGB1ITGA2ITGA4ITGA5ITGB3
SCHEMBL16587899 0.83 ITGB1 (0.77) ITGB1ITGA2ITGA4ITGA5ITGB3

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-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US claimed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US claimed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 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-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 ITGB1 4/4885ITGA2 2/4885ITGA4 16/4885

“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.