SCHEMBL3337290

SCHEMBL3337290

CC1(C)OB(c2cccc(C(=O)NCCO)c2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
TP53BP1 Q12888 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
LPL P06858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LOX P28300 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P4HB P07237 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2802061 0.90 SMN1; SMN2 (0.47) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL31449957 0.90 L3MBTL1 (0.59) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL14189767 0.88 CA1 (0.45) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL29588581 0.87 HPGD (0.49) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL2822476 0.87 HPGD (0.47) L3MBTL1SMN1; SMN2HPGDTP53BP1HSD17B10
SCHEMBL3322095 0.86 LIPG (0.47) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL1679566 0.86 ALDH1A1 (0.45) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL959879 0.85 CA1 (0.43) L3MBTL1CA1CA2CA9SMN1; SMN2
SCHEMBL1679704 0.84 ALDH1A1 (0.48) L3MBTL1CA1CA2SMN1; SMN2HPGD
SCHEMBL15648726 0.83 CA1 (0.61) CA1CA2CA9HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2008030795-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES BOARDS OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-03-13 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 (6 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD L3MBTL1 4616/4885CA1 3580/4885CA2 1976/4885
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885CA1 3081/4885CA2 3091/4885
US-20100144743-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF TYROSINE KINASES ABL1, LCK, SRC L3MBTL1 3666/4885CA1 3713/4885CA2 2250/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885CA1 3081/4885CA2 3091/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885CA1 3081/4885CA2 3091/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885CA1 3081/4885CA2 3091/4885

“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.