SCHEMBL17445733

SCHEMBL17445733

CS(=O)(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ BCHE P06276 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.34
▸ PRKAG1 P54619 9/20 0.32
▸ PRKAA1 Q13131 9/20 0.32
▸ PRKAB1 Q9Y478 9/20 0.32
▸ PRKAB2 O43741 8/20 0.32
▸ PRKAA2 P54646 8/20 0.32
▸ PRKAG3 Q9UGI9 8/20 0.32
▸ PRKAG2 Q9UGJ0 8/20 0.32

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
SCHEMBL17445740 1.00 MAPT (0.51) MAPTTHRBLMNABCHEALDH1A1
SCHEMBL17445730 1.00 MAPT (0.51) MAPTTHRBLMNABCHEALDH1A1
SCHEMBL15373594 1.00 MAPT (0.51) MAPTTHRBLMNABCHEALDH1A1
SCHEMBL7153071 0.88 ALDH1A1 (0.41) MAPTBCHEALDH1A1
SCHEMBL907186 0.88 ALDH1A1 (0.41) MAPTBCHEALDH1A1
SCHEMBL13689312 0.88 ALDH1A1 (0.41) MAPTBCHEALDH1A1
SCHEMBL7151311 0.88 ALDH1A1 (0.41) MAPTBCHEALDH1A1
SCHEMBL907185 0.88 ALDH1A1 (0.41) MAPTBCHEALDH1A1
SCHEMBL1014606 0.85 MAPT (0.51) MAPTTHRBLMNABCHEALDH1A1
SCHEMBL1014604 0.85 MAPT (0.51) MAPTTHRBLMNABCHEALDH1A1

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-20160016969-A1 ISOHEXIDE MONOTRIFLATES AND PROCESS FOR SYNTHESIS THEREOF ARCHER DANIELS MIDLAND COMPANY (US) 2016-01-21 — — 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-20160016969-A1 ISOHEXIDE MONOTRIFLATES AND PROCESS FOR SYNTHESIS THEREOF PPIP5K2, TALDO1, MSH2 MAPT 2573/4885THRB 3354/4885LMNA 1370/4885

“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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