SCHEMBL1670973

SCHEMBL1670973

O=C(N1CCOc2ccccc21)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.65
PDK1 Q15118 1/20 0.59
POLB P06746 1/20 0.56
THRB P10828 1/20 0.50
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 4/20 0.47
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
KMT2A Q03164 1/20 0.46
P2RY1 P47900 1/20 0.46
NR3C2 P08235 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL13524326 0.84 NOTUM (0.69) NOTUMPDK1POLBTHRBMAPT
SCHEMBL6648039 0.80 NOTUM (0.73) NOTUMPDK1POLBTHRBMAPT
SCHEMBL13606320 0.80 MAPT (0.55) POLBTHRBMAPTLMNAKMT2A
SCHEMBL9467972 0.80 MAPT (0.43) NOTUMPDK1POLBTHRBMAPT
SCHEMBL18568320 0.80 CA12 (0.43) NOTUMPDK1POLBTHRBMAPT
SCHEMBL1909835 0.79 CA12 (0.45) NOTUMKMT2A
SCHEMBL1548726 0.79 NOTUM (0.71) NOTUMPDK1POLBTHRBMAPT
SCHEMBL7350334 0.79 NOTUM (1.00) NOTUMPDK1POLBTHRBMAPT
SCHEMBL16144907 0.79 NOTUM (0.71) NOTUMPDK1POLBTHRBMAPT
SCHEMBL28263927 0.78 NOTUM (0.65) NOTUMPDK1POLBTHRBMAPT

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 WO disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 WO disclosed
US-5260294-A Treatment of diseases caused by oxidative metabolism of arachidonic acid; antiinflammatory, antiallergins, antiarthriric HOFFMAN-LA ROCHE INC. (US) 1993-11-09 US disclosed
US-5132310-A Benzochroman compounds, lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1992-07-21 US disclosed
US-5015661-A Lipoxygenase inhibitors HOFFMANN-LA ROCHE INC. (US) 1991-05-14 US disclosed
EP-0354508-A2 Benzopyranol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-02-14 EP 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 (3 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 NOTUM 840/4885PDK1 644/4885POLB 4847/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY NOTUM 76/4885PDK1 213/4885POLB 1792/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 NOTUM 840/4885PDK1 644/4885POLB 4847/4885

“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.