SCHEMBL25754000

SCHEMBL25754000

COC(=O)C[C@H](NC(=O)CN)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGB1 P05556 3/20 0.37
ITGAV P06756 3/20 0.37
ITGA5 P08648 3/20 0.37
ITGB5 P18084 3/20 0.37
ITGB6 P18564 3/20 0.37
ITGB8 P26012 3/20 0.37
ITGA8 P53708 3/20 0.37
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
RAET1L Q5VY80 1/20 0.37
SLC13A3 Q8WWT9 1/20 0.36
UTS2R Q9UKP6 2/20 0.35
WDR5 P61964 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MC4R P32245 2/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
GPR35 Q9HC97 1/20 0.34

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
Hydrochloric Acid SCHEMBL30388430 0.99 ITGB3 (0.37) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25625086 0.92 TACR1 (0.39) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24037064 0.89 KLRK1 (0.36) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036755 0.88 L3MBTL1 (0.42) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24036837 0.87 ITGB3 (0.45) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036843 0.87 ITGB3 (0.35) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL25625085 0.87 THRB (0.36) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036845 0.86 THRB (0.40) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036842 0.86 NOTUM (0.44) ITGB3ITGB1ITGAVITGA5ITGB5
SCHEMBL24036821 0.84 ITGB1 (0.40) ITGB3ITGB1ITGAVITGA5ITGB5

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 ITGB3 4177/4885ITGB1 4421/4885ITGAV 4406/4885

“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.