SCHEMBL2801374

SCHEMBL2801374

CC(OS(C)(=O)=O)c1cccc(OS(C)(=O)=O)c1.CC(c1cccc(OS(C)(=O)=O)c1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.51
BCHE P06276 13/20 0.48
FAAH O00519 1/20 0.47
MARK4 Q96L34 1/20 0.42
ALOX5 P09917 1/20 0.36

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
SCHEMBL2026891 0.93 ACHE (0.57) ACHEBCHEFAAHMARK4ALOX5
SCHEMBL2799811 0.93 ACHE (0.57) ACHEBCHEFAAHMARK4ALOX5
SCHEMBL2026893 0.93 ACHE (0.57) ACHEBCHEFAAHMARK4ALOX5
SCHEMBL2800774 0.91 CA1 (0.39) ACHEBCHEFAAH
SCHEMBL2025338 0.91 CA1 (0.39) ACHEBCHEFAAH
SCHEMBL2053885 0.91 CA1 (0.39) ACHEBCHEFAAH
SCHEMBL1825973 0.79 CA1 (0.39) ACHEBCHE
SCHEMBL1826052 0.75 CYP19A1 (0.36) ACHE
SCHEMBL16726991 0.74 SLC6A4 (0.43)
SCHEMBL1826835 0.74 ACHE (0.40) ACHEBCHEFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637713-B2 Process for preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2014-01-28 US disclosed
US-20130096337-A1 Process for Preparation of Optically Active Compounds using Transfer Hydrogenation NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8415508-B2 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2013-04-09 US disclosed
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2010-07-01 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-20130096337-A1 Process for Preparation of Optically Active Compounds using Transfer Hydrogenation SPR, ACHE, QDPR ACHE 2/4885BCHE 34/4885FAAH 816/4885
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation SPR, ACHE, QDPR ACHE 2/4885BCHE 33/4885FAAH 760/4885

“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.