SCHEMBL12831907

SCHEMBL12831907

CC(S)C(=O)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CES2 O00748 4/20 0.35
▸ CES1 P23141 4/20 0.35
▸ CASP3 P42574 2/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ ALPL P05186 2/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL12213944 0.84 MAPT (0.42) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL12831909 0.84 PKM (0.31) —
SCHEMBL27494904 0.81 MAPT (0.40) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL27494903 0.81 MAPT (0.40) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL19484370 0.78 MAPT (0.41) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL29056376 0.75 MAPT (0.40) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL19749188 0.75 ALDH1A1 (0.40) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL22381468 0.75 MAPT (0.37) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL18697369 0.74 CA1 (0.44) MAPTALDH1A1KDM4EHTTCA1
SCHEMBL2153565 0.74 CA1 (0.44) MAPTALDH1A1KDM4EHTTCA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11793895-B2 Residualizing linkers and uses thereof CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION 2023-10-24 — — US disclosed
US-20210060190-A1 RESIDUALIZING LINKERS AND USES THEREOF CENTRE FOR PROBE DEVELOPMENT AND COMMERCIALIZATION (CA) 2021-03-04 — — US disclosed
US-7910222-B2 Polymerizable composition for forming optical device, optical device and method for producing optical device FUJIFILM CORPORATION (JP) 2011-03-22 — — 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 (2 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-20210060190-A1 RESIDUALIZING LINKERS AND USES THEREOF CD44, CD47, MTCL3 MAPT 1318/4885ALDH1A1 619/4885KDM4E 937/4885
US-11793895-B2 Residualizing linkers and uses thereof CD44, CD47, MTCL3 MAPT 1318/4885ALDH1A1 619/4885KDM4E 937/4885

“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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