SCHEMBL24036715

SCHEMBL24036715

COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cc(Br)cc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGAV P06756 8/20 0.43
ITGB6 P18564 8/20 0.43
ITGB5 P18084 6/20 0.43
ITGB1 P05556 5/20 0.43
ITGB8 P26012 5/20 0.43
ITGA5 P08648 4/20 0.43
ITGA8 P53708 4/20 0.43
GPR139 Q6DWJ6 1/20 0.36
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PTPRB P23467 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 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
SCHEMBL25624404 0.89 MEN1 (0.36) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL24036817 0.89 ITGB3 (0.34) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL24036714 0.89 ITGB3 (0.43) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL25624219 0.86 NOTUM (0.41) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL30546801 0.86 NOTUM (0.41) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL24036750 0.86 GPR139 (0.50) ITGB3ITGAVITGB6ITGB5ITGB8
SCHEMBL25624406 0.85 ITGB3 (0.39) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL25753874 0.85 MAPT (0.39) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL24037106 0.84 GPR139 (0.40) ITGB3ITGAVITGB6ITGB5ITGB1
SCHEMBL24036824 0.83 ITGB3 (0.40) ITGB3ITGAVITGB6ITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 WO disclosed
WO-2021230325-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE 宇部興産株式会社 2021-11-18 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 ITGB3 4177/4885ITGAV 4406/4885ITGB6 3068/4885

“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.