SCHEMBL27353250

SCHEMBL27353250

CCCCCOC(=O)[C@@H](CCCC)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 6/20 0.59
▸ TNF P01375 2/20 0.51
▸ MDM2 Q00987 2/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47

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
SCHEMBL16327986 0.96 TLR2 (0.59) TLR2TNFMDM2HDAC1HDAC2
SCHEMBL27353660 0.91 TLR2 (0.51) TLR2TNFMDM2HDAC1HDAC2
SCHEMBL27353663 0.91 TLR2 (0.51) TLR2TNFMDM2HDAC1HDAC2
SCHEMBL27093964 0.91 TLR2 (0.62) TLR2TNF
SCHEMBL27093960 0.91 TLR2 (0.62) TLR2TNF
SCHEMBL30824273 0.90 TLR2 (0.55) TLR2TNFHDAC1HDAC2
SCHEMBL9654639 0.90 TLR2 (0.54) TLR2MDM2
SCHEMBL15203241 0.90 TLR2 (0.54) TLR2TNFMDM2
SCHEMBL10026043 0.89 TLR2 (0.58) TLR2TNFMDM2
SCHEMBL27353661 0.89 TLR2 (0.51) TLR2TNFMDM2HDAC1HDAC2

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-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 — — 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-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF CYP4F3, GTF3C3, GTF3C4 TLR2 4302/4885TNF 4587/4885MDM2 3655/4885

“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.

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