SCHEMBL21996515

SCHEMBL21996515

O=C(ON[SH](=O)=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 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
SCHEMBL13604054 0.71 HTT (0.43) MAPK1TSHRHTTMAPTRECQL
SCHEMBL13479795 0.70 MAPK1 (0.38) MAPK1TSHRHTTMAPTRECQL
SCHEMBL1719721 0.69 TSHR (0.59) MAPK1TSHRHTTMAPTRECQL
SCHEMBL776289 0.68 CES2 (0.40) MAPK1TSHRHTTMAPTRECQL
SCHEMBL1029288 0.68 CES2 (0.40) MAPK1TSHRHTTMAPTRECQL
SCHEMBL247169 0.68 CES2 (0.40) MAPK1TSHRHTTMAPTRECQL
SCHEMBL7198377 0.67 TSHR (0.57) MAPK1TSHRHTTMAPTRECQL
SCHEMBL522175 0.66 TSHR (0.61) MAPK1TSHRHTTMAPTRECQL
SCHEMBL522412 0.64 TSHR (0.53) MAPK1TSHRHTTMAPTRECQL
SCHEMBL13595531 0.63 CA1 (0.43) MAPK1TSHRMAPTRECQLCA1

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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 — — US disclosed
WO-2020113077-A9 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-08-13 — — WO disclosed
WO-2020113077-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-04 — — WO 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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 MAPK1 4142/4885TSHR 486/4885HTT 2139/4885

“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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