SCHEMBL25827425

SCHEMBL25827425

CC[C@@H]1C=C(OS(=O)(=O)C(F)(F)F)CN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
HTR2C P28335 1/20 0.40
PREP P48147 4/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37

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
SCHEMBL12345385 0.81 PDK1 (0.41) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL25827460 0.79 HTR2C (0.48) HTR2CPREPPSEN1PSEN2APH1B
SCHEMBL23306296 0.76 PDK1 (0.42) PDK1PDK2PDK3PDK4PSEN1
SCHEMBL13841156 0.75 MEN1 (0.46) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL5938213 0.75 F2 (0.42) PDK1PDK2PDK3PDK4PREP
SCHEMBL5937996 0.75 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4NPC1
SCHEMBL6916082 0.73 BCHE (0.36)
SCHEMBL3926927 0.73 NPC1 (0.44) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL30571658 0.73 SMYD2 (0.35)
SCHEMBL28444042 0.72 DRD2 (0.35)

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-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-29 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-20230203081-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF NPEPPS, TLR7, ASNS PDK1 3067/4885PDK2 2888/4885PDK3 3349/4885

“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.