SCHEMBL12974550

SCHEMBL12974550

[2H]Cc1coc2ccc(C(C)C)cc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.51
▸ MAPT P10636 6/20 0.40
▸ THRB P10828 4/20 0.40
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PFKFB3 Q16875 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RNASEH1 O60930 1/20 0.33

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
SCHEMBL787854 0.87 PTPN1 (0.55) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL15912346 0.77 PTPN1 (0.55) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL28883966 0.75 PTPN1 (0.54) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL22515652 0.75 PTPN1 (0.54) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL10216166 0.73 PTPN1 (0.44) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL19499076 0.72 PTPN1 (0.51) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL25146363 0.70 MAPT (0.59) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL28603006 0.70 PTPN1 (0.64) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL17615540 0.69 PTPN1 (0.47) PTPN1MAPTTHRBTP53SMN1; SMN2
SCHEMBL28238868 0.69 PTPN1 (0.48) PTPN1MAPTTHRBTP53SMN1; SMN2

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-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 — — 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-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES STS, PRSS1, PRSS3 PTPN1 2171/4885MAPT 2196/4885THRB 4871/4885

“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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