SCHEMBL25752819

SCHEMBL25752819

COC(=O)C[C@H](N[S@+]([O-])C(C)(C)C)c1cc(C)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
FDFT1 P37268 1/20 0.32
TNF P01375 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL25752818 0.87 CTSA (0.35) CTSALMNAHTTMAPTHSD17B10
SCHEMBL25753582 0.85 MAPT (0.43) CTSALMNAMAPTKDM4ECYP1A2
SCHEMBL25622816 0.85 MAPT (0.43) CTSALMNAMAPTKDM4ECYP1A2
SCHEMBL31089151 0.80 TSHR (0.39) LMNAHTTMAPTCYP1A2CYP3A4
SCHEMBL24036882 0.80 FDFT1 (0.37) CTSALMNAHTTFDFT1MAPT
SCHEMBL25753619 0.80 FDFT1 (0.37) CTSALMNAHTTFDFT1MAPT
SCHEMBL31751050 0.78 MAPT (0.45) LMNAMAPTKDM4ECYP1A2CYP3A4
SCHEMBL28066994 0.78 CNR1 (0.33) HTTMAPT
SCHEMBL12525647 0.78 CTSA (0.36) CTSAHTTMAPT
SCHEMBL25753616 0.78 WDR5 (0.32) CTSATNFMAPTHSD17B10

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 CTSA 4587/4885PDK1 1682/4885PDK2 749/4885

“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.