SCHEMBL25753582

SCHEMBL25753582

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSA P10619 5/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
EEF2K O00418 1/20 0.36
CYP2D6 P10635 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL25622816 1.00 MAPT (0.43) MAPTKDM4ECTSANPSR1HTR2A
SCHEMBL31751050 0.91 MAPT (0.45) MAPTKDM4ENPSR1LMNAKMT2A
SCHEMBL31751482 0.89 EEF2K (0.46) MAPTCTSANPSR1LMNAKMT2A
SCHEMBL25753581 0.89 CTSA (0.38) MAPTKDM4ECTSAKMT2ACYP1A2
SCHEMBL31751056 0.89 EEF2K (0.46) MAPTCTSANPSR1LMNAKMT2A
SCHEMBL24036721 0.89 CTSA (0.38) MAPTKDM4ECTSAKMT2ACYP1A2
SCHEMBL31751203 0.87 NPSR1 (0.39) NPSR1HTR2ASLC6A4KCNH2LMNA
SCHEMBL31751255 0.87 NPSR1 (0.39) NPSR1HTR2ASLC6A4KCNH2LMNA
SCHEMBL25752819 0.85 CTSA (0.34) MAPTKDM4ECTSAHTR2ASLC6A4
SCHEMBL24036809 0.82 EEF2K (0.45) KMT2AEEF2K

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 MAPT 3157/4885KDM4E 1887/4885CTSA 4587/4885

“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.