SCHEMBL7073029

SCHEMBL7073029

N=C(N)NCCCCOc1cccc2c1NC(=O)C(CC(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.34
ITGB3 P05106 5/20 0.34
ITGAV P06756 4/20 0.34
ITGA2B P08514 3/20 0.34
ITGB1 P05556 1/20 0.34
ITGB5 P18084 1/20 0.34
PPARG P37231 2/20 0.33
MTNR1A P48039 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
S1PR5 Q9H228 1/20 0.32
PPARA Q07869 1/20 0.32

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
SCHEMBL7073055 0.99 ITGB3 (0.33) PPARDITGB3ITGAVITGA2BITGB1
SCHEMBL7073042 0.97 ITGB3 (0.36) PPARDITGB3ITGAVITGA2BITGB1
SCHEMBL7075503 0.80 PPARD (0.40) PPARDITGB3ITGAVITGA2BITGB1
SCHEMBL7071285 0.77 ITGB3 (0.42) PPARDITGB3ITGAVITGA2BITGB1
SCHEMBL7073036 0.76 ITGB3 (0.30) PPARDITGB3ITGA2B
Hydrochloric Acid SCHEMBL7071498 0.76 ITGB3 (0.42) PPARDITGB3ITGAVITGA2BITGB1
Trifluoroacetic Acid SCHEMBL7078541 0.75 ITGB3 (0.41) PPARDITGB3ITGAVITGA2BITGB1
Trifluoroacetic Acid SCHEMBL7078808 0.75 ITGB3 (0.41) PPARDITGB3ITGAVITGA2BITGB1
Hydrochloric Acid SCHEMBL7071458 0.73 ITGB3 (0.40) PPARDITGB3ITGAVITGA2BITGB1
Hydrochloric Acid SCHEMBL7075240 0.72 SMYD3 (0.42) ITGB3ITGA2BGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US claimed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US claimed
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 PPARD 3395/4885ITGB3 3/4885ITGAV 1/4885

“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.