SCHEMBL18541508

SCHEMBL18541508

CCc1ccc([C@@H](O)COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 1.00
CYP3A4 P08684 2/20 0.65
RXRA P19793 1/20 0.65
MPC2 O95563 1/20 0.64
CYP2C8 P10632 1/20 0.64
CYP2C9 P11712 1/20 0.64
FFAR1 O14842 5/20 0.51
PPARA Q07869 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 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
SCHEMBL6928369 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL2327405 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6929811 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL18541506 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL2328758 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL23836844 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL2328760 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL2266225 1.00 PPARG (1.00) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6931081 0.91 PPARG (0.83) PPARGCYP3A4RXRAMPC2CYP2C8
SCHEMBL6930472 0.91 PPARG (0.83) PPARGCYP3A4RXRAMPC2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170049762-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SLC5A2, PPARD, DPP4 PPARG 10/4885CYP3A4 108/4885RXRA 213/4885

“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.