SCHEMBL6539673

SCHEMBL6539673

COC(=O)C(N)CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.51
ITGA2B P08514 17/20 0.51
F2R P25116 12/20 0.51
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.42

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
SCHEMBL6538613 0.92 ITGB3 (0.56) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7508440 0.90 ITGB3 (0.52) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7504172 0.90 ITGB3 (0.52) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7446205 0.87 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7503218 0.85 ITGB3 (0.51) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7508228 0.85 ITGB3 (0.57) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7442090 0.84 ITGB3 (0.50) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7746749 0.84 ITGB3 (0.56) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7506218 0.84 ITGB3 (0.49) ITGB3ITGA2BF2RALDH1A1MEN1
SCHEMBL7445982 0.84 ITGB3 (0.54) ITGB3ITGA2BF2RALDH1A1MEN1

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-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ITGB3 423/4885ITGA2B 346/4885F2R 1250/4885

“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.