SCHEMBL25752818

SCHEMBL25752818

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.35
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
KAT6A Q92794 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL24036882 0.88 FDFT1 (0.37) CTSAMAPTHTTSMN1; SMN2LMNA
SCHEMBL25753619 0.88 FDFT1 (0.37) CTSAMAPTHTTSMN1; SMN2LMNA
SCHEMBL25752819 0.87 CTSA (0.34) CTSAMAPTHTTHSD17B10KDM4E
SCHEMBL25753621 0.87 MEN1 (0.34) ALDH1A1HTTKAT6AKDM4ELMNA
SCHEMBL24036886 0.87 MEN1 (0.34) ALDH1A1HTTKAT6AKDM4ELMNA
SCHEMBL25753581 0.86 CTSA (0.38) CTSAMAPTKDM4ETSHR
SCHEMBL24036721 0.86 CTSA (0.38) CTSAMAPTKDM4ETSHR
SCHEMBL24036537 0.85 EPHX2 (0.35) MAPTALDH1A1HTTSMN1; SMN2PKM
SCHEMBL25753637 0.85 EPHX2 (0.35) MAPTALDH1A1HTTSMN1; SMN2PKM
SCHEMBL24036538 0.84 BACE1 (0.36) SMN1; SMN2

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 4587/4885MAPT 3157/4885ALDH1A1 208/4885

“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.