SCHEMBL25753558

SCHEMBL25753558

COC(=O)C[C@H](N[S+]([O-])C(C)(C)C)c1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CTSA P10619 3/20 0.33
TMPRSS4 Q9NRS4 2/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
BMP1 P13497 1/20 0.32
WDR5 P61964 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
SCHEMBL25622766 1.00 RXRA (0.37) RXRARXRBRXRGHDAC3HDAC1
SCHEMBL25622767 0.92 TACR1 (0.34) CTSACETP
SCHEMBL25753566 0.92 TACR1 (0.34) CTSACETP
SCHEMBL24036736 0.92 TACR1 (0.34) CTSACETP
SCHEMBL25753624 0.90 EPHX2 (0.33) EPHX2LMNAMEN1HTTKMT2A
SCHEMBL24036890 0.90 EPHX2 (0.33) EPHX2LMNAMEN1HTTKMT2A
SCHEMBL24036735 0.88 CETP (0.32) CETP
SCHEMBL24036739 0.88 CXCR2 (0.36) RXRARXRBRXRGCTSAHTT
SCHEMBL24036737 0.88 CXCR2 (0.36) CTSAHTT
SCHEMBL25753551 0.88 CETP (0.32) CETP

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 RXRA 4170/4885RXRB 4332/4885RXRG 4358/4885

“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.