SCHEMBL25754170

SCHEMBL25754170

COC(=O)C[C@H](NC(=O)CN)c1cc(C=O)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
APP P05067 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL25625378 0.84 CTSA (0.40) ALDH1A1SMN1; SMN2MAPTMEN1HPGD
SCHEMBL24036571 0.83 MEN1 (0.38) ALDH1A1POLBMAPTMEN1HPGD
SCHEMBL25625468 0.81 LMNA (0.37) SMN1; SMN2POLBMEN1HPGDKMT2A
SCHEMBL24036584 0.81 CTSA (0.42) ALDH1A1SMN1; SMN2MAPT
SCHEMBL25753758 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2POLBAPPMAPT
SCHEMBL24036949 0.80 RIPK1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ABACE1
SCHEMBL18404162 0.72 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL25625198 0.72 AKT1 (0.40) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL6670889 0.71 SLC1A3 (0.43) POLBMAPTMEN1KMT2A
SCHEMBL25625467 0.71 POLB (0.39) ALDH1A1SMN1; SMN2POLBMAPTMEN1

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 ALDH1A1 208/4885SMN1; SMN2 1305/4885POLB 860/4885

“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.