SCHEMBL18541489

SCHEMBL18541489

O=C1NC(=O)[C@H](Cc2ccc(OCC(=O)c3ccccc3F)cc2)S1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.73
MPC2 O95563 2/20 0.62
CYP2C8 P10632 2/20 0.62
CYP2C9 P11712 2/20 0.62
FFAR1 O14842 9/20 0.55
PPARA Q07869 2/20 0.55
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL936978 1.00 PPARG (0.73) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL12628141 0.89 PPARG (0.73) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL936483 0.88 PPARG (0.72) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL936346 0.87 PPARG (0.71) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL18541499 0.85 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL935826 0.85 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL19828831 0.85 PPARG (1.00) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL21504846 0.84 PPARG (0.52) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL936979 0.83 PPARG (0.79) PPARGMPC2CYP2C8CYP2C9FFAR1
SCHEMBL9372410 0.82 PPARG (0.91) 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-11123336-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2021-09-21 US disclosed
US-10265305-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2019-04-23 US disclosed
US-20180133204-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME POXEL SA (FR) 2018-05-17 US disclosed
US-9833445-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same DEUTERX, LLC (US) 2017-12-05 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-10265305-B2 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-20180133204-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-11123336-B2 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.