SCHEMBL25753581

SCHEMBL25753581

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.38
EEF2K O00418 3/20 0.36
PDE2A O00408 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
CFTR P13569 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL24036721 1.00 CTSA (0.38) CTSAEEF2KPDE2AKDM4EMAPT
SCHEMBL25753582 0.89 MAPT (0.43) CTSAEEF2KPDE2AKDM4EMAPT
SCHEMBL25622816 0.89 MAPT (0.43) CTSAEEF2KPDE2AKDM4EMAPT
SCHEMBL25753619 0.86 FDFT1 (0.37) CTSAMAPTMEN1KMT2A
SCHEMBL24036882 0.86 FDFT1 (0.37) CTSAMAPTMEN1KMT2A
SCHEMBL25752818 0.86 CTSA (0.35) CTSAKDM4EMAPTTSHR
SCHEMBL24036886 0.85 MEN1 (0.34) KDM4EMEN1KMT2AHPGD
SCHEMBL25753621 0.85 MEN1 (0.34) KDM4EMEN1KMT2AHPGD
SCHEMBL24036538 0.84 BACE1 (0.36) PDE2AMEN1KMT2AHPGD
SCHEMBL25753654 0.84 BACE1 (0.36) PDE2AMEN1KMT2AHPGD

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 4587/4885EEF2K 1397/4885PDE2A 2400/4885

“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.