SCHEMBL10106229

SCHEMBL10106229

CCc1ccc(C(=CCO)COc2ccc(CC3SC(=O)CC3=O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.52
MPC2 O95563 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 2/20 0.41
RXRA P19793 1/20 0.41
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FKBP1A P62942 1/20 0.31
ESR1 P03372 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL14213686 0.85 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL10106198 0.84 PPARG (0.74) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14425141 0.84 PPARG (0.74) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14225794 0.75 PPARG (0.56) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL13743064 0.75 PPARG (0.69) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL26328531 0.75 PPARG (0.69) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14408626 0.75 PPARG (0.78) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14213682 0.75 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14213676 0.75 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4
SCHEMBL14213674 0.75 PPARG (0.70) PPARGMPC2CYP2C8CYP2C9CYP3A4

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-20120015982-A1 Thiazolidinedione analogues METABOLIC SOLUTIONS DEVELOPMENT COMPANY (US) 2012-01-19 US disclosed
US-20090137638-A1 Thiazolidinedione analogues METABOLIC SOLUTIONS DEVELOPMENT COMPANY, LLC 2009-05-28 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 (2 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-20090137638-A1 Thiazolidinedione analogues SLC5A2, GLP1R, SLC5A1 PPARG 6/4885MPC2 171/4885CYP2C8 656/4885
US-20120015982-A1 Thiazolidinedione analogues PPARD, GLP1R, PPARG PPARG 3/4885MPC2 142/4885CYP2C8 759/4885

“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.