SCHEMBL25753553

SCHEMBL25753553

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
CTSA P10619 7/20 0.33
EEF2K O00418 1/20 0.31
KLRK1 P26718 1/20 0.31
MICA Q29983 1/20 0.31
RAET1L Q5VY80 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
NOTUM Q6P988 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TACR1 P25103 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL24036737 1.00 CXCR2 (0.36) CXCR2CTSAEEF2KKLRK1MICA
SCHEMBL25622767 0.93 TACR1 (0.34) CTSAEEF2KNOTUMALDH1A1TACR1
SCHEMBL25753566 0.93 TACR1 (0.34) CTSAEEF2KNOTUMALDH1A1TACR1
SCHEMBL24036736 0.93 TACR1 (0.34) CTSAEEF2KNOTUMALDH1A1TACR1
SCHEMBL28066994 0.89 CNR1 (0.33) ALDH1A1MAPTHTT
SCHEMBL24036735 0.89 CETP (0.32) EEF2KNOTUMALDH1A1TACR1
SCHEMBL24036739 0.89 CXCR2 (0.36) CXCR2CTSAEEF2KKLRK1MICA
SCHEMBL25753562 0.89 CXCR2 (0.36) CXCR2CTSAEEF2KKLRK1MICA
SCHEMBL25753551 0.89 CETP (0.32) EEF2KNOTUMALDH1A1TACR1
SCHEMBL30388831 0.88 SLC13A3 (0.35) CTSAEEF2KKLRK1MICARAET1L

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 CXCR2 1259/4885CTSA 4587/4885EEF2K 1397/4885

“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.