SCHEMBL7746239

SCHEMBL7746239

CC(NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)C(=O)OCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.43
ITGA2B P08514 13/20 0.43
KMT2A Q03164 1/20 0.42
F2R P25116 3/20 0.40
RHOA P61586 1/20 0.40
STS P08842 1/20 0.40
GAA P10253 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL7500180 0.87 ITGB3 (0.48) ITGB3ITGA2BF2RRHOA
SCHEMBL7503553 0.86 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL7500173 0.85 ITGB3 (0.47) ITGB3ITGA2BF2RRHOA
SCHEMBL7500177 0.84 ITGB3 (0.46) ITGB3ITGA2BF2RRHOAGAA
SCHEMBL7503555 0.83 ITGB3 (0.47) ITGB3ITGA2BKMT2AF2RRHOA
SCHEMBL7742148 0.80 ITGB3 (0.51) ITGB3ITGA2BKMT2AF2RGAA
SCHEMBL7746749 0.80 ITGB3 (0.56) ITGB3ITGA2BKMT2AF2R
SCHEMBL7445660 0.80 ITGB3 (0.48) ITGB3ITGA2BF2RSTS
SCHEMBL7747696 0.80 ITGB3 (0.50) ITGB3ITGA2BF2R
SCHEMBL7445653 0.77 ITGB3 (0.49) ITGB3ITGA2BF2RSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885KMT2A 3535/4885

“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.