SCHEMBL1926547

SCHEMBL1926547

C[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
CYP2D6 P10635 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 3/20 0.45
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1926548 1.00 NPC1 (0.47) NPC1CYP2D6LMNACYP1A2POLB
SCHEMBL14655128 0.83 PRKCA (0.47) NPC1CYP2D6LMNACYP1A2ADRB2
SCHEMBL17670583 0.81 ADRB2 (0.41) NPC1CYP2D6LMNAPOLBADRB2
SCHEMBL2736660 0.81 ALDH1A1 (0.43) NPC1CYP2D6LMNACYP1A2ADRB2
SCHEMBL2736661 0.81 ALDH1A1 (0.43) NPC1CYP2D6LMNACYP1A2ADRB2
SCHEMBL15892788 0.79 PRKCA (0.43) NPC1CYP2D6LMNAADRB2ADRB1
SCHEMBL14655056 0.79 PRKCA (0.55) NPC1CYP2D6LMNAADRB2ADRB1
SCHEMBL15895175 0.79 PRKCA (0.43) NPC1CYP2D6LMNAPOLBADRB2
SCHEMBL29235806 0.79 ADRB2 (0.64) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL21727823 0.79 TSHR (0.41) NPC1CYP2D6LMNACYP1A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308934-A1 Prodrugs of Chlorokynurenines CEPHALON INC (US) 2019-10-10 US disclosed
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2012-07-26 US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
US-8163958-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2012-04-24 US disclosed
US-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-08-18 US disclosed
US-7956212-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2011-06-07 US disclosed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US disclosed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US disclosed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 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 (7 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-20110201817-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885
US-20120190861-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885
US-20190308934-A1 Prodrugs of Chlorokynurenines KMO, CYP2A13, KYNU NPC1 3930/4885CYP2D6 13/4885LMNA 2862/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC NPC1 3417/4885CYP2D6 124/4885LMNA 2387/4885

“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.