SCHEMBL25752836

SCHEMBL25752836

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A3 Q8WWT9 1/20 0.40
GPR35 Q9HC97 2/20 0.39
RHOC P08134 3/20 0.37
RHOA P61586 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
TACR1 P25103 1/20 0.36
KLRK1 P26718 1/20 0.36
MICA Q29983 1/20 0.36
RAET1L Q5VY80 1/20 0.36
CLPP Q16740 1/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSA P10619 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 1/20 0.35
SCN9A Q15858 3/20 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 SCHEMBL30388827 0.99 SLC13A3 (0.40) SLC13A3GPR35RHOCRHOAKDM4E
SCHEMBL25625751 0.90 TACR1 (0.43) MAPTTACR1NOTUMSCN9A
SCHEMBL19090871 0.87 GPR35 (0.42) SLC13A3GPR35RHOCRHOAKDM4E
SCHEMBL19090873 0.87 GPR35 (0.42) SLC13A3GPR35RHOCRHOAKDM4E
SCHEMBL20154370 0.85 L3MBTL1 (0.45) MAPTTACR1GRNSORT1LMNA
SCHEMBL20154369 0.85 L3MBTL1 (0.45) MAPTTACR1GRNSORT1LMNA
SCHEMBL6341030 0.85 L3MBTL1 (0.45) MAPTTACR1GRNSORT1LMNA
SCHEMBL24037031 0.85 CTSA (0.38) GPR35MAPTTACR1KLRK1MICA
SCHEMBL25623724 0.85 AKT1 (0.38) MAPTTACR1KLRK1MICARAET1L
SCHEMBL3929529 0.85 AKT1 (0.38) MAPTTACR1KLRK1MICARAET1L

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
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 SLC13A3 286/4885GPR35 2093/4885RHOC 2893/4885

“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.