SCHEMBL24036744

SCHEMBL24036744

COC(=O)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cccc(OC(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGB6 P18564 1/20 0.40
GPR139 Q6DWJ6 4/20 0.40
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 1/20 0.37
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL24036713 0.92 APLNR (0.36) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036750 0.91 GPR139 (0.50) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036746 0.90 GPR139 (0.39) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036705 0.90 PKM (0.38) GPR139EPHX2CTSSCTSKHDAC3
SCHEMBL25624528 0.87 EPAS1 (0.35) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036817 0.87 ITGB3 (0.34) ITGB3ITGAVITGB5ITGB6KDM4E
SCHEMBL25624830 0.86 GPR139 (0.42) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036816 0.86 ITGB3 (0.35) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036747 0.86 GPR139 (0.46) ITGB3ITGAVITGB5ITGB6GPR139
SCHEMBL24036832 0.85 WDR5 (0.44) GPR139KDM4EEPHX2CTSSCTSK

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 4406/4885ITGB5 4199/4885

“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.