SCHEMBL2999166

SCHEMBL2999166

O=C(OCc1ccccc1)N1CC(O)C(O)C(O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR2C P28335 1/20 0.50
GRIN2B Q13224 4/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RX4 Q99571 1/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL2621369 0.97 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621342 0.97 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL70761 0.94 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621378 0.94 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL70762 0.94 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2621382 0.94 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL28854682 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL25973965 0.90 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5747789 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5747781 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190099436-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2019-04-04 US disclosed
US-20170087172-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2017-03-30 US disclosed
US-9365602-B2 Sodium glucose co-transporter inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2016-06-14 US disclosed
US-20140135277-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-05-15 US disclosed
US-8476413-B2 Sulfanyl-tetrahydropyran-based compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-07-02 US disclosed
US-20100311673-A1 SULFANYL-TETRAHYDROPYRAN-BASED COMPOUNDS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2010-12-09 US disclosed
US-7846945-B2 Piperdine-based inhibitors of sodium glucose co-transporter 2 and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2010-12-07 US disclosed
US-7781577-B2 2-[4-Chloro-3-(4-hydroxy-benzyl)-phenyl]-6-methoxy-tetrahydro-pyran-3,4,5-triol; 2-[4-Chloro-3-(4-ethoxy-benzyl)-phenyl]-3,4,5-trihydroxy-piperidine-1-carboxylic acid methyl ester; (2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-methoxytetrahydro-2H-thiopyran-3,4,5-triol; antidibetic, antiobesity agents LEXICON PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-20080221164-A1 Inhibitors of Sodium Glucose Co-Transporter 2 and Methods of Their Use OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-09-11 US disclosed
US-20080113922-A1 INHIBITORS OF SODIUM GLUCOSE CO-TRANSPORTER 2 AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-05-15 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 (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-20080113922-A1 INHIBITORS OF SODIUM GLUCOSE CO-TRANSPORTER 2 AND METHODS OF THEIR USE SLC2A1, SLC2A2, SLC5A2 SMN1; SMN2 3414/4885NPC1 94/4885RAB9A 2405/4885
US-20170087172-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE SLC2A1, SLC2A4, SLC5A2 SMN1; SMN2 3100/4885NPC1 95/4885RAB9A 2029/4885
US-20190099436-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE SLC2A1, SLC2A4, SLC5A2 SMN1; SMN2 3100/4885NPC1 95/4885RAB9A 2029/4885
US-20100311673-A1 SULFANYL-TETRAHYDROPYRAN-BASED COMPOUNDS AND METHODS OF THEIR USE GPR119, FABP4, LIPC SMN1; SMN2 1482/4885NPC1 949/4885RAB9A 1961/4885
US-20140135277-A1 SODIUM GLUCOSE CO-TRANSPORTER INHIBITORS AND METHODS OF THEIR USE SLC2A1, SLC2A4, SLC5A2 SMN1; SMN2 3100/4885NPC1 95/4885RAB9A 2029/4885
US-20080221164-A1 Inhibitors of Sodium Glucose Co-Transporter 2 and Methods of Their Use SLC2A1, SLC2A2, SLC5A2 SMN1; SMN2 3414/4885NPC1 94/4885RAB9A 2405/4885

“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.