SCHEMBL25625541

SCHEMBL25625541

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGAV P06756 2/20 0.45
ITGB5 P18084 2/20 0.45
ITGB6 P18564 2/20 0.45
ITGB8 P26012 1/20 0.42
MMP12 P39900 2/20 0.40
PDE2A O00408 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MME P08473 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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 SCHEMBL7173937 0.99 GPR139 (0.45) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL24036947 0.88 L3MBTL1 (0.40) ROCK2ROCK1
SCHEMBL7357336 0.88 ITGB3 (0.53) GPR139ITGB3ITGAVITGB5ITGB6
Hydrochloric Acid SCHEMBL7171364 0.86 ALDH1A1 (0.46) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL25625540 0.85 PNMT (0.46) GPR139
SCHEMBL24036821 0.84 ITGB1 (0.40) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL24036824 0.84 ITGB3 (0.40) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL25625472 0.84 ITGB1 (0.40) GPR139ITGB3ITGAVITGB5ITGB6
SCHEMBL24036950 0.83 TACR3 (0.39) ROCK2ROCK1
SCHEMBL24036750 0.82 GPR139 (0.50) GPR139ITGB3ITGAVITGB5ITGB6

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 2 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

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 GPR139 676/4885ITGB3 4177/4885ITGAV 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.