SCHEMBL16075634

SCHEMBL16075634

[2H][C@]1(Cc2ccc(OCC(=O)c3cccc(OC)c3)cc2)SC(=O)NC1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.80
MPC2 O95563 2/20 0.80
CYP2C8 P10632 2/20 0.80
CYP2C9 P11712 2/20 0.80
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
RAB9A P51151 1/20 0.54
BLM P54132 1/20 0.54
FFAR1 O14842 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 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
SCHEMBL16075632 1.00 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL16075636 1.00 PPARG (0.80) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL18541485 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL29376450 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL623654 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL18541511 0.89 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL6931416 0.84 PPARG (0.83) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL13504806 0.81 PPARG (0.72) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL24212244 0.81 PPARG (0.71) PPARGMPC2CYP2C8CYP2C9NPC1
SCHEMBL6930322 0.79 PPARG (0.82) PPARGMPC2CYP2C8CYP2C9FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049762-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME POXEL SA (FR) 2017-02-23 US disclosed
US-9416117-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same DEUTERX, LLC (US) 2016-08-16 US disclosed
US-20150284346-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME POXEL SA (FR) 2015-10-08 US disclosed
US-8969581-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same DEUTERX, LLC (US) 2015-03-03 US disclosed
US-20140275180-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-09-18 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 (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-20150284346-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SLC5A2, PPARD, DPP4 PPARG 10/4885MPC2 636/4885CYP2C8 443/4885
US-20140275180-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SLC5A2, PPARD, DPP4 PPARG 10/4885MPC2 636/4885CYP2C8 443/4885
US-20170049762-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SLC5A2, PPARD, DPP4 PPARG 10/4885MPC2 636/4885CYP2C8 443/4885

“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.